![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-ọkan, 2-[[bis (4-methoxy phenyl) phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-ọkan, 2-[[bis (4-methoxy phenyl) phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI) Aworan ti a ṣe afihan](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo.jpg)
C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-ọkan, 2-[[bis (4-methoxy phenyl) phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)
| Key Properties Properties | Iye | Ipo |
| Òṣuwọn Molikula | 528.55 | - |
| Oju Iyọ (Ayẹwo) | 129,5-130 °C | - |
| Oju Ise (Asọtẹlẹ) | 688,2 ± 65,0 °C | Tẹ: 760 Torr |
| iwuwo (Asọtẹlẹ) | 1,35 ± 0,1 g / cm3 | Iwọn otutu: 20 °C;Tẹ: 760 Torr |
| pKa (Asọtẹlẹ) | 12.51 ± 0.40 | Pupọ Epo otutu: 25 °C |
SILES Canonical O=C1N=C2OC3C(O)C(OC3N2C=C1)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6
Isomeric SMILES C (OC [C @ H] 1O[C @ @] 2 ([C @] ([C @ @ H] 1O)(OC=3N2C=CC(=O)N3)[H])[H] )(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChi
InChi=1S/C30H28N2O7/c1-35-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(36- 2)15-11-21)37-18-24-26(34)27-28(38-24)32-17- 16-25(33)31-29(32)39-27/h3-17, 24,26-28,34H,18H2,1-2H3/t24-,26-,27+,28-/m1/s1
InChi Key
OEIRLWHCGAICDW-AOGFTHLWSA-N
2 Awọn orukọ miiran fun nkan yii
(2R,3R,3aS,9aR)-2-[[Bis (4-methoxyphenyl) phenylmethoxy]methyl] -2,3,3a,9a-tetrahydro-3-hydroxy-6H-furo[2′,3′:4 ,5]oxazolo [3,2-a] pyrimidin-6-ọkan (ACI);6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pyrimidin-6-ọkan, 2-[[bis (4-methoxyphenyl) phenylmethoxy]methyl]-2,3,3a,9a -
tetrahydro-3-hydroxy-, [2R- (2α,3β,3aβ,9aβ)]- (ZCI)
| Awọn ohun-ini ti o wa |
| Gbona |
Gbona
| Ohun ini | Iye | Ipo | Orisun |
| Ojuami Iyo | 129,5-130 °C | (1) CAS | |
(1) Szlenkier, Maurycy;Nucleosides, Nucleotides & Nucleic Acids, (2016), 35(8), 410-425, CAplus
| Spectra wa |
| 1H NMR |
| 13C NMR |
| IR |
| Ibi |
Awọn ohun-ini asọtẹlẹ
| Awọn ohun-ini ti o wa |
| Ti ibi |
| Kemikali |
| iwuwo |
| Lipinski |
| Ilana Jẹmọ |
| Gbona |
Ti ibi
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 1360 | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1360 | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1360 | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1360 | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1360 | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1360 | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1360 | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 1360 | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1360 | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1350 | pH 10;Iwọn otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kemikali
| Ohun ini | Iye | Ipo | Orisun |
| Koc | 6080 | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 6080 | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 6080 | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 6080 | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 6080 | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 6080 | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 6080 | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 6080 | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 6070 | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 6060 | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.42 | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.42 | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.42 | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.42 | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.42 | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.42 | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.42 | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.42 | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.42 | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.42 | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| logP | 4.424± 0.618 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isoju Agbekale | 5.8 x 10-4 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.8 x 10-4 g/L | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.8 x 10-4 g/L | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.8 x 10-4 g/L | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.8 x 10-4 g/L | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.8 x 10-4 g/L | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Ibi Solubility | 5.8 x 10-4 g/L | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.8 x 10-4 g/L | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.8 x 10-4 g/L | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.8 x 10-4 g/L | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.8 x 10-4 g/L | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.8 x 10-4 g/L | Omi ti a ko fi silẹ pH 7.00;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 1.1 x 10-6 mol/L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1.1 x 10-6 mol/L | Omi ti a ko fi silẹ pH 7.00;Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 528.55 | ||
| pKa | 12.51 ± 0.40 | Pupọ Epo otutu: 25 °C | (1) ACD |
| pKa | -4,70 ± 0,60 | Pupọ Ipilẹ otutu: 25 °C | (1) ACD |
| Oru Ipa | 6,91 x 10-20 Torr | Iwọn otutu: 25 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
iwuwo
| Ohun ini | Iye | Ipo | Orisun |
| iwuwo | 1,35 ± 0,1 g / cm3 | Iwọn otutu: 20 °C;Tẹ: 760 Torr | (1) ACD |
| Iwọn didun Molar | 389,8 ± 7,0 cm3 / mol | Iwọn otutu: 20 °C;Tẹ: 760 Torr | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Ohun ini | Iye | Ipo | Orisun |
| Larọwọto Rotatable Bonds | 9 | (1) ACD | |
| Ohun ini | Iye | Ipo | Orisun |
| H Awọn olugba | 9 | (1) ACD | |
| H Awọn oluranlọwọ | 1 | (1) ACD | |
| H Oluranlọwọ / Olugba Apapọ | 10 | (1) ACD | |
| logP | 4.424± 0.618 | Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 528.55 |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Ilana Jẹmọ
| Ohun ini | Iye | Ipo | Orisun |
| Pola dada Area | 99.1 A2 | (1) ACD | |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Gbona
| Ohun ini | Iye | Ipo | Orisun |
| Ojuami farabale | 688,2 ± 65,0 °C | Tẹ: 760 Torr | (1) ACD |
| Enthalpy ti Vaporization | 105.96 ± 3.0 kJ / mol | Tẹ: 760 Torr | (1) ACD |
| Oju filaṣi | 370,0 ± 34,3 °C | (1) ACD |
(1) Iṣiro nipa lilo Idagbasoke Kemistri To ti ni ilọsiwaju (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spectra wa
1H NMR
13C NMR
![C21H23N3O5 L-Ornithine, N5- (aminocarbonyl) -N2- [(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C21H23N3O5-L-Ornithine-300x300.jpg)
![118 Re36H44N2O8Si Uridine, 5'-O-[bis (4-methoxyphenyl) phenylmethyl] -2'-O-[(1,1- dimethylethyl) dimethylsilyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/118-Re36H44N2O8Si-Uridine-300x300.jpg)
![C42H52N5O9P Cytidine, N-acetyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′-O- methyl-, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] ( ACI)](https://cdn.globalso.com/nvchem/C42H52N5O9P-Cytidine-300x300.png)
![C17H19N3O6 Thymidine, α -oxo- α -[(phenylmethyl) amino]- (ACI)](https://cdn.globalso.com/nvchem/C17H19N3O6-Thymidine-300x300.png)
![C41H51N5O8Si Guanosine, 5'-O-[bis (4-methoxyphenyl) phenylmethyl] -2'-O-[(1,1- dimethylethyl) dimethylsilyl] -N- (2-methyl-1-oxopropyl) - (9CI, ACI). )](https://cdn.globalso.com/nvchem/C41H51N5O8Si-Guanosine-300x300.jpg)