![C36H39N5O8 Guanosine, 5'-O-[bis (4-methoxyphenyl) phenylmethyl] -2'-O-methyl- N- (2-methyl-1-oxopropyl) - (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C36H39N5O8 Guanosine, 5'-O-[bis (4-methoxyphenyl) phenylmethyl] -2'-O-methyl- N- (2-methyl-1-oxopropyl) - (9CI, ACI) Aworan Afihan](https://cdn.globalso.com/nvchem/C36H39N5O8-Guanosine.jpg)
C36H39N5O8 Guanosine, 5'-O-[bis (4-methoxyphenyl) phenylmethyl] -2'-O-methyl- N- (2-methyl-1-oxopropyl) - (9CI, ACI)
| Key Properties Properties | Iye | Ipo |
| Òṣuwọn Molikula | 669.72 | - |
| iwuwo (Asọtẹlẹ) | 1,35 ± 0,1 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr |
| pKa (Asọtẹlẹ) | 9.16 ± 0.20 | Pupọ Epo otutu: 25 °C |
Canonical SMILES O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C(O)C3OC
ISOMERIC SMILES
C
= CC=C6
InChi
InChi=1S/C36H39N5O8/c1-21(2)32(43)39-35-38-31-28(33(44)40-35) 37-20-41 (31) 34-30 (47-5)29 (42)27 (49-34) 19-48-36 (22-9-7-6-8-10-2) 2,23-11-15-25(45-3)16-12-23)24-13-17-26(46-4)18-14-24/h6-18,20-2 1,27,29-30,34,42H,19H2,1-5H3,(H2,38,39,40,43,44)/t27-,29-,30-,34
-/m1/s1
InChi Key
ISQLJOGRNUQHJX-WIFIACMTSA-N
1 Oruko miiran fun Ohun elo yii
5′-O-[Bis (4-methoxyphenyl) phenylmethyl]-2′-O-methyl-N- (2-methyl-1-oxopropyl) guanosine (ACI)
| Awọn ohun-ini ti o wa |
| Ti ibi |
| Kemikali |
| iwuwo |
| Lipinski |
| Ilana Jẹmọ |
Ti ibi
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 797 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 2030 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 2400 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 2450 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 2450 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 2450 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 2420 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 2170 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 1070 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 195 | 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 | 3020 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 7680 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 9100 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 9270 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 9290 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 9280 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 9170 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 8220 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 4050 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 737 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.27 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.68 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| logD | 4.75 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.76 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.76 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.76 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.76 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.71 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.40 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| logD | 3.66 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logP | 4.763 ± 0.722 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isoju Agbekale | 3.1 x 10-4 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 9.4 x 10-4 g/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3,7 x 10-4 g/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.1 x 10-4 g/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.1 x 10-4 g/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.1 x 10-4 g/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.1 x 10-4 g/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.1 x 10-4 g/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.5 x 10-4 g/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 7.4 x 10-4 g/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.9 x 10-3 g/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 3.1 x 10-4 g/L | Omi ti ko ni ipamọ pH 6.99; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 4.6 x 10-7 mol/L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,4 x 10-6 mol/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 5.5 x 10-7 mol/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 4,7 x 10-7 mol / L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 4.6 x 10-7 mol/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 4.6 x 10-7 mol/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 4.6 x 10-7 mol/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 4.6 x 10-7 mol/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 5.2 x 10-7 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 | 5.8 x 10-6 mol/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Solubility Molar | 4.6 x 10-7 mol/L | Omi ti ko ni ipamọ pH 6.99; Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 669.72 | ||
| pKa | 9.16 ± 0.20 | Pupọ Epo otutu: 25 °C | (1) ACD |
| pKa | 1.73 ± 0.10 | 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 | 1,35 ± 0,1 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr | (1) ACD |
| Iwọn didun Molar | 494,4 ± 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 | 12 | (1) ACD | |
| H Awọn olugba | 13 | (1) ACD | |
| H Awọn oluranlọwọ | 3 | (1) ACD | |
| H Oluranlọwọ / Olugba Apapọ | 16 | (1) ACD | |
| logP | 4.763 ± 0.722 | Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 669.72 |
(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 | 155 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
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