C42H39N3O8 Ko Tii Ti sọtọ
| Key Properties Properties | Iye | Ipo |
| Òṣuwọn Molikula | 713.78 | - |
| iwuwo (Asọtẹlẹ) | 1,315 ± 0,06 g / cm3 | Iwọn otutu: 20 °C;Tẹ: 760 Torr |
| pKa (Asọtẹlẹ) | 8.23 ± 0.10 | Pupọ Epo otutu: 25 °C |
SILES Canonical O=C1NC(=O)N(C=C1C(=O)NCC2=CC=CC=3C=CC=CC32)C4OC(COC(C=5C=CC=CC5)(C6=CC=C(OC) )C=C6)C7=CC=C(OC)C=C7)C(O)C4
ISOMERIC SMILES
C(OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(NCC=3C4=C(C=CC3)C=CC=C4)=O)C (=O)NC2=O)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C=C6)C 7=CC=CC=C7
InChi
InChi=1S/C42H39N3O8/c1-50-32-19-15-30(16-20-32)42(29-12-4-3-5-13-29,31-17-21-33(51-) 2)22-18-31)52-26-37-36(46)23-38(53-37)4 5-25-35(40(48)44-41(45)49)39(47)43 -24-28-11-8-10-27-9-6-7-14-34(27)28/h3-22,25,36-38,46H,23-24,26H2,1-2H3,( H,43,47) (H,44,48,49)/t36-,37+,38+/m0/s1
InChi Key
HDUMRQQRYJOBFS-YXWIYCFASA-N
| Awọn ohun-ini ti o wa |
| Ti ibi |
| Awọn ohun-ini ti o wa |
| Kemikali |
| iwuwo |
| Lipinski |
| Ilana Jẹmọ |
Ti ibi
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 41700 | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 41700 | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 41700 | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 41700 | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 41700 | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 41200 | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 36900 | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | Ọdun 18100 | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 3290 | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 718 | 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 | 70600 | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 70600 | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 70600 | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 70600 | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 70500 | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 69700 | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 62400 | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 30600 | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 5560 | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1210 | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.38 | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.38 | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.38 | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| logD | 6.38 | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.38 | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.38 | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.33 | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| logD | 6.02 | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| logD | 5.28 | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.62 | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| logP | 6.382 ± 0.644 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isoju Agbekale | 5.1 x 10-7 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.1 x 10-7 g/L | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.1 x 10-7 g/L | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.1 x 10-7 g/L | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.1 x 10-7 g/L | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.1 x 10-7 g/L | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.1 x 10-7 g/L | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5,7 x 10-7 g/L | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,1 x 10-6 g/L | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 6,4 x 10-6 g/L | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 2.9 x 10-5 g/L | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5,7 x 10-7 g/L | Omi ti a ko fi silẹ pH 7.00;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 7.1 x 10-10 mol/L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 7.1 x 10-10 mol/L | pH 1;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 7.1 x 10-10 mol/L | pH 2;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 7.1 x 10-10 mol/L | pH 3;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 7.1 x 10-10 mol/L | pH 4;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 7.1 x 10-10 mol/L | pH 5;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 7.2 x 10-10 mol/L | pH 6;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 8.0 x 10-10 mol/L | pH 7;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,6 x 10-9 mol/L | pH 8;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 9.0 x 10-9 mol/L | pH 9;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 4.1 x 10-8 mol/L | pH 10;Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 8.0 x 10-10 mol/L | Omi ti a ko fi silẹ pH 7.00;Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Òṣuwọn Molikula | 713.78 | ||
| pKa | 8.23 ± 0.10 | Pupọ Epo otutu: 25 °C | (1) ACD |
| pKa | -1.90 ± 0.20 | Pupọ Ipilẹ 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 | 1,315 ± 0,06 g / cm3 | Iwọn otutu: 20 °C;Tẹ: 760 Torr | (1) ACD |
| Iwọn didun Molar | 542,7 ± 3,0 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 | 13 | (1) ACD | |
| H Awọn olugba | 11 | (1) ACD | |
| H Awọn oluranlọwọ | 3 | (1) ACD | |
| H Oluranlọwọ / Olugba Apapọ | 14 | (1) ACD | |
| logP | 6.382 ± 0.644 | Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 713.78 |
(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 | 136 A2 | (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
![C41H43N3O9 Cytidine, N-benzoyl-5′-O-[bis (4-methoxyphenyl) phenylmethyl]-2′-O- (2-methoxyethyl) -5-methyl- (9CI, ACI) H335, H319, H315](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine-300x300.jpg)
![C21H21N3O6 Thymidine, α – [(1-naphthalenylmethyl) amino]- α -oxo- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)
![C50H58N7O9P Adenosine, N-benzoyl-5′-O- [bis (4-methoxyphenyl) phenylmethyl]-2′ – O- (2-methoxyethyl) –, 3′ – [2-cyanoethyl N, N-bis (1-methylethyl) phosphoramidite] (ACI)](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine-300x300.png)
![C39H37N5O7 Adenosine, N-benzoyl-5′-O-[bis(4-methoxyphenyl) phenylmethyl]-2′- O-methyl- (9CI, ACI)](https://cdn.globalso.com/nvchem/Substance-Detail-300x300.jpg)
![C30H30N2O8 Uridine, 5′-O-[bis(4-methoxyphenyl) phenylmethyl]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C30H30N2O8-Uridine-300x300.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)](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo-300x300.jpg)