C30H30N2O8 Uridine, 5′-O-[bis(4-methoxyphenyl) phenylmethyl]- (9CI, ACI)
Key Properties Properties | Iye | Ipo |
Òṣuwọn Molikula | 546.57 | - |
Ibi Iyọ (Ayẹwo) | 111-112 °C | Ohun elo: Ethyl acetate |
iwuwo (Asọtẹlẹ) | 1.343 ± 0,06 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr |
pKa (Asọtẹlẹ) | 9.39 ± 0.10 | Pupọ Epo otutu: 25 °C |
SILES Canonical O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C= C5)C(O)C2O
Isomeric SMILES C (OC [C@H] 1O[C@H] ([C @ H] (O) [C@@H] 1O) N2C(=O)NC(=O)C=C2)(C3= CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChi
InChi=1S/C30H30N2O8/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7- 19,21-10-14-23(38-2)15-11-21)39-18-24-26(34)27(35)28(40-24)32-
17-16-25(33)31-29(32)36/h3-17,24,26-28,34-35H,18H2,1-2H3,(H,31,33,36)/t24-,26 -,27-,28-/m1/s1
InChi Key
PCFSNQYXXACUHM-YULOIDQLSA-N
4 Awọn orukọ miiran fun nkan yii
5′-O-[Bis (4-methoxyphenyl) phenylmethyl] uridine (ACI); Uridine, 5'-O- [α, α-bis (p-methoxyphenyl) benzyl] - (7CI); 5'-Dimethoxytrityl uridine; 5'-O- (4,4'-Dimethoxytril) uridine
Awọn ohun-ini ti o wa |
Gbona |
Gbona
Ohun ini | Iye | Ipo | Orisun | |
Ojuami Iyo | 122-123 °C | (1) CAS | ||
Ojuami Iyo | 111-112 °C | Yiyọ: | Ethyl acetate | (2) CAS |
Ojuami Iyo | Wo Ẹkunrẹrẹ Ọrọ | (3) CAS |
(1) Sekri, Negari; Iwe itẹjade ti Ẹgbẹ Kemikali ti Etiopia, (2010), 24 (2), 299-304, CAplus
(2) Patil, Premanand Ramrao; Iwe akosile ti Kemistri Carbohydrate, (2008), 27 (5), 279-293, CAplus
(3) Khalafi-Nezhad, Ali; Awọn lẹta Tetrahedron, (2004), 45 (36), 6737-6739, CAplus
Spectra wa
1H NMR
13C NMR
Ibi
Awọn ohun-ini ti o wa |
Ti ibi |
Kemikali |
iwuwo |
Lipinski |
Ilana Jẹmọ |
Ti ibi
Ohun ini | Iye | Ipo | Orisun |
Bioconcentration ifosiwewe | 904 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 904 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 904 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 904 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 904 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 904 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 900 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 861 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
Bioconcentration ifosiwewe | 602 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
Ohun ini | Iye | Ipo | Orisun |
Bioconcentration ifosiwewe | 156 | 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 | 4550 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
Koc | 4550 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
Koc | 4550 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
Koc | 4550 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
Koc | 4550 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
Koc | 4540 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
Koc | 4520 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
Koc | 4330 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
Koc | 3030 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
Koc | 785 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
logD | 4.19 | pH 1; Iwọn otutu: 25 °C | (1) ACD |
logD | 4.19 | pH 2; Iwọn otutu: 25 °C | (1) ACD |
logD | 4.19 | pH 3; Iwọn otutu: 25 °C | (1) ACD |
logD | 4.19 | pH 4; Iwọn otutu: 25 °C | (1) ACD |
logD | 4.19 | pH 5; Iwọn otutu: 25 °C | (1) ACD |
logD | 4.19 | pH 6; Iwọn otutu: 25 °C | (1) ACD |
logD | 4.19 | pH 7; Iwọn otutu: 25 °C | (1) ACD |
logD | 4.17 | pH 8; Iwọn otutu: 25 °C | (1) ACD |
logD | 4.02 | pH 9; Iwọn otutu: 25 °C | (1) ACD |
logD | 3.43 | pH 10; Iwọn otutu: 25 °C | (1) ACD |
logP | 4.192 ± 0.628 | Iwọn otutu: 25 °C | (1) ACD |
Ibi Isolubu Agbekale | 3.2 x 10-4 g/L | Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 3.2 x 10-4 g/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 3.2 x 10-4 g/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 3.2 x 10-4 g/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 3.2 x 10-4 g/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 3.2 x 10-4 g/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 3.2 x 10-4 g/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 3.2 x 10-4 g/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
Ohun ini | Iye | Ipo | Orisun |
Ibi Solubility | 3.3 x 10-4 g/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 4,8 x 10-4 g/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 1,9 x 10-3 g/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
Ibi Solubility | 3.2 x 10-4 g/L | Omi ti ko ni ipamọ pH 6.99; Iwọn otutu: 25 °C | (1) ACD |
Solubility Inu inu Molar | 5.8 x 10-7 mol/L | Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 5.8 x 10-7 mol/L | pH 1; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 5.8 x 10-7 mol/L | pH 2; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 5.8 x 10-7 mol/L | pH 3; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 5.8 x 10-7 mol/L | pH 4; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 5.8 x 10-7 mol/L | pH 5; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 5.8 x 10-7 mol/L | pH 6; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 5.8 x 10-7 mol/L | pH 7; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 6.1 x 10-7 mol/L | pH 8; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 8.7 x 10-7 mol/L | pH 9; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 3.4 x 10-6 mol/L | pH 10; Iwọn otutu: 25 °C | (1) ACD |
Solubility Molar | 5.8 x 10-7 mol/L | Omi ti ko ni ipamọ pH 6.99; Iwọn otutu: 25 °C | (1) ACD |
Òṣuwọn Molikula | 546.57 | ||
pKa | 9.39 ± 0.10 | Pupọ Epo 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 | 1.343 ± 0,06 g / cm3 | Iwọn otutu: 20 °C; Tẹ: 760 Torr | (1) ACD |
Iwọn didun Molar | 406,9 ± 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 | 11 | (1) ACD | |
H Awọn olugba | 10 | (1) ACD | |
H Awọn oluranlọwọ | 3 | (1) ACD | |
H Oluranlọwọ / Olugba Apapọ | 13 | (1) ACD | |
logP | 4.192 ± 0.628 | Iwọn otutu: 25 °C | (1) ACD |
Ohun ini | Iye | Ipo | Orisun |
Òṣuwọn Molikula | 546.57 |
(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 | 127 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