![C33H35N3O8 Cytidine, N-acetyl-5′-O-[bis(4-methoxyphenyl) phenylmethyl]-2′-O- methyl- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C33H35N3O8 Cytidine, N-acetyl-5′-O-[bis(4-methoxyphenyl) phenylmethyl]-2′-O- methyl- (9CI, ACI) Aworan Afihan](https://cdn.globalso.com/nvchem/C33H35N3O8-Cytidine.jpg)
C33H35N3O8 Cytidine, N-acetyl-5′-O-[bis(4-methoxyphenyl) phenylmethyl]-2′-O- methyl- (9CI, ACI)
| Key Properties Properties | Iye | Ipo |
| Òṣuwọn Molikula | 601.65 | - |
| iwuwo (Asọtẹlẹ) | 1,28 ± 0,1 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr |
| pKa (Asọtẹlẹ) | 10.19 ± 0.20 | Pupọ Epo otutu: 25 °C |
SILES Canonical O=C1N=C(C=CN1C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)C(O)C2OC)NC(=O)C
Isomeric SMILES C (OC [C @ H] 1O[C @ H] ([C @ H] (OC) [C@@H] 1O) N2C(=O)N=C(NC(C)=O)C=C2)(C3=CC=C
InChi
InChi=1S/C33H35N3O8/c1-21(37)34-28-18-19-36(32(39)35-28)31-30( 42-4)29 (38)27 (44-31)20-43-33 (22-8-6-5-7-9-22,23-10-14-25(40-2) 15-11-23)24-12-16-26(41-3)17-13-24/h5-19,27,29-31,38H,20H2,1-4H3,(H,34,35,37,39)/t27-,29-,30-/s/1-,31-s
InChi Key
FINUHOJILDNELQ-PMFUCWTESA-N
1 Oruko miiran fun Ohun elo yii
N-Acetyl-5′-O-[bis(4-methoxyphenyl) phenylmethyl]-2′-O-methylcytidine (ACI)
| Awọn ohun-ini ti o wa |
| Ti ibi |
| Kemikali |
| iwuwo |
| Lipinski |
| Ilana Jẹmọ |
Ti ibi
| Ohun ini | Iye | Ipo | Orisun |
| Bioconcentration ifosiwewe | 8.87 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 27.8 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 171 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 515 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 650 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 668 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 668 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 657 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 560 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Bioconcentration ifosiwewe | 229 | 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 | 48.6 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 152 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 935 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 2820 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 3560 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 3660 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 3660 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 3600 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 3070 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Koc | 1250 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logD | 2.14 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| logD | 2.64 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| logD | 3.43 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| logD | 3.91 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.01 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.02 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.02 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| logD | 4.01 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| logD | 3.94 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| logD | 3.55 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| logP | 4.021 ± 0.768 | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Isoju Agbekale | 1,3 x 10-3 g/L | Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.10 g/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 0.032 g/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 5.2 x 10-3 g/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,7 x 10-3 g/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,4 x 10-3 g/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,3 x 10-3 g/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,3 x 10-3 g/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,3 x 10-3 g/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Ibi Solubility | 1,6 x 10-3 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 | 1,3 x 10-3 g/L | Omi ti ko ni ipamọ pH 6.99; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Inu inu Molar | 2.2 x 10-6 mol/L | Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 1,7 x 10-4 mol / L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 5.3 x 10-5 mol/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 8.6 x 10-6 mol/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.9 x 10-6 mol/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.3 x 10-6 mol/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.2 x 10-6 mol/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.2 x 10-6 mol/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.2 x 10-6 mol/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 2.6 x 10-6 mol/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
| Solubility Molar | 6.4 x 10-6 mol/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
| Ohun ini | Iye | Ipo | Orisun |
| Solubility Molar | 2.2 x 10-6 mol/L | Omi ti ko ni ipamọ pH 6.99; Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 601.65 | ||
| pKa | 10.19 ± 0.20 | Pupọ Epo otutu: 25 °C | (1) ACD |
| pKa | 3.57± 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 | 1,28 ± 0,1 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr | (1) ACD |
| Iwọn didun Molar | 466,5 ± 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 | 11 | (1) ACD | |
| H Awọn olugba | 11 | (1) ACD | |
| H Awọn oluranlọwọ | 2 | (1) ACD | |
| H Oluranlọwọ / Olugba Apapọ | 13 | (1) ACD | |
| logP | 4.021 ± 0.768 | Iwọn otutu: 25 °C | (1) ACD |
| Òṣuwọn Molikula | 601.65 |
(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 | 128 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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