C30H30N2O8 Uridine, 5′-O-[bis(4-methoxyphenyl)phenylmethyl]- (9CI, ACI)
Pangunahing Pisikal na Katangian | Halaga | Kundisyon |
Molekular na Timbang | 546.57 | - |
Melting Point (Eksperimento) | 111-112 °C | Solvent: Ethyl acetate |
Densidad (Hula) | 1.343±0.06 g/cm3 | Temp: 20 °C;Pindutin ang: 760 Torr |
pKa (Hula) | 9.39±0.10 | Pinakamaasim na Temp: 25 °C |
Canonical SMILES 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
Susi ng InChI
PCFSNQYXXACUHM-YULOIDQLSA-N
4 Iba pang Pangalan para sa Substansyang ito
5′-O-[Bis(4-methoxyphenyl)phenylmethyl]uridine (ACI);Uridine, 5′-O-[α,α-bis(p-methoxyphenyl)benzyl]- (7CI);5′-Dimethoxytriyl uridine;5′-O-(4,4′-Dimethoxytriyl)uridine
Available ang mga property |
Thermal |
Thermal
Ari-arian | Halaga | Kundisyon | Pinagmulan | |
Temperatura ng pagkatunaw | 122-123 °C | (1) CAS | ||
Temperatura ng pagkatunaw | 111-112 °C | Solvent: | Ethyl acetate | (2) CAS |
Temperatura ng pagkatunaw | Tingnan ang Buong Teksto | (3) CAS |
(1) Zekri, Negar;Bulletin ng Chemical Society of Ethiopia, (2010), 24(2), 299-304, CAplus
(2) Patil, Premanand Ramrao;Journal of Carbohydrate Chemistry, (2008), 27(5), 279-293, CAplus
(3) Khalafi-Nezhad, Ali;Mga Sulat ng Tetrahedron, (2004), 45(36), 6737-6739, CAplus
Available ang spectra
1H NMR
13C NMR
Ang misa
Available ang mga property |
Biyolohikal |
Kemikal |
Densidad |
Lipinski |
Kaugnay na Istruktura |
Biyolohikal
Ari-arian | Halaga | Kundisyon | Pinagmulan |
Salik ng Bioconcentration | 904 | pH 1;Temp: 25 °C | (1) ACD |
Salik ng Bioconcentration | 904 | pH 2;Temp: 25 °C | (1) ACD |
Salik ng Bioconcentration | 904 | pH 3;Temp: 25 °C | (1) ACD |
Salik ng Bioconcentration | 904 | pH 4;Temp: 25 °C | (1) ACD |
Salik ng Bioconcentration | 904 | pH 5;Temp: 25 °C | (1) ACD |
Salik ng Bioconcentration | 904 | pH 6;Temp: 25 °C | (1) ACD |
Salik ng Bioconcentration | 900 | pH 7;Temp: 25 °C | (1) ACD |
Salik ng Bioconcentration | 861 | pH 8;Temp: 25 °C | (1) ACD |
Salik ng Bioconcentration | 602 | pH 9;Temp: 25 °C | (1) ACD |
Ari-arian | Halaga | Kundisyon | Pinagmulan |
Salik ng Bioconcentration | 156 | pH 10;Temp: 25 °C | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kemikal
Ari-arian | Halaga | Kundisyon | Pinagmulan |
Sinabi ni Koc | 4550 | pH 1;Temp: 25 °C | (1) ACD |
Sinabi ni Koc | 4550 | pH 2;Temp: 25 °C | (1) ACD |
Sinabi ni Koc | 4550 | pH 3;Temp: 25 °C | (1) ACD |
Sinabi ni Koc | 4550 | pH 4;Temp: 25 °C | (1) ACD |
Sinabi ni Koc | 4550 | pH 5;Temp: 25 °C | (1) ACD |
Sinabi ni Koc | 4540 | pH 6;Temp: 25 °C | (1) ACD |
Sinabi ni Koc | 4520 | pH 7;Temp: 25 °C | (1) ACD |
Sinabi ni Koc | 4330 | pH 8;Temp: 25 °C | (1) ACD |
Sinabi ni Koc | 3030 | pH 9;Temp: 25 °C | (1) ACD |
Sinabi ni Koc | 785 | pH 10;Temp: 25 °C | (1) ACD |
talaD | 4.19 | pH 1;Temp: 25 °C | (1) ACD |
talaD | 4.19 | pH 2;Temp: 25 °C | (1) ACD |
talaD | 4.19 | pH 3;Temp: 25 °C | (1) ACD |
talaD | 4.19 | pH 4;Temp: 25 °C | (1) ACD |
talaD | 4.19 | pH 5;Temp: 25 °C | (1) ACD |
talaD | 4.19 | pH 6;Temp: 25 °C | (1) ACD |
talaD | 4.19 | pH 7;Temp: 25 °C | (1) ACD |
talaD | 4.17 | pH 8;Temp: 25 °C | (1) ACD |
talaD | 4.02 | pH 9;Temp: 25 °C | (1) ACD |
talaD | 3.43 | pH 10;Temp: 25 °C | (1) ACD |
logP | 4.192±0.628 | Temp: 25 °C | (1) ACD |
Mass Intrinsic Solubility | 3.2 x 10-4 g/L | Temp: 25 °C | (1) ACD |
Mass Solubility | 3.2 x 10-4 g/L | pH 1;Temp: 25 °C | (1) ACD |
Mass Solubility | 3.2 x 10-4 g/L | pH 2;Temp: 25 °C | (1) ACD |
Mass Solubility | 3.2 x 10-4 g/L | pH 3;Temp: 25 °C | (1) ACD |
Mass Solubility | 3.2 x 10-4 g/L | pH 4;Temp: 25 °C | (1) ACD |
Mass Solubility | 3.2 x 10-4 g/L | pH 5;Temp: 25 °C | (1) ACD |
Mass Solubility | 3.2 x 10-4 g/L | pH 6;Temp: 25 °C | (1) ACD |
Mass Solubility | 3.2 x 10-4 g/L | pH 7;Temp: 25 °C | (1) ACD |
Ari-arian | Halaga | Kundisyon | Pinagmulan |
Mass Solubility | 3.3 x 10-4 g/L | pH 8;Temp: 25 °C | (1) ACD |
Mass Solubility | 4.8 x 10-4 g/L | pH 9;Temp: 25 °C | (1) ACD |
Mass Solubility | 1.9 x 10-3 g/L | pH 10;Temp: 25 °C | (1) ACD |
Mass Solubility | 3.2 x 10-4 g/L | Unbuffered Water pH 6.99;Temp: 25 °C | (1) ACD |
Molar Intrinsic Solubility | 5.8 x 10-7 mol/L | Temp: 25 °C | (1) ACD |
Molar Solubility | 5.8 x 10-7 mol/L | pH 1;Temp: 25 °C | (1) ACD |
Molar Solubility | 5.8 x 10-7 mol/L | pH 2;Temp: 25 °C | (1) ACD |
Molar Solubility | 5.8 x 10-7 mol/L | pH 3;Temp: 25 °C | (1) ACD |
Molar Solubility | 5.8 x 10-7 mol/L | pH 4;Temp: 25 °C | (1) ACD |
Molar Solubility | 5.8 x 10-7 mol/L | pH 5;Temp: 25 °C | (1) ACD |
Molar Solubility | 5.8 x 10-7 mol/L | pH 6;Temp: 25 °C | (1) ACD |
Molar Solubility | 5.8 x 10-7 mol/L | pH 7;Temp: 25 °C | (1) ACD |
Molar Solubility | 6.1 x 10-7 mol/L | pH 8;Temp: 25 °C | (1) ACD |
Molar Solubility | 8.7 x 10-7 mol/L | pH 9;Temp: 25 °C | (1) ACD |
Molar Solubility | 3.4 x 10-6 mol/L | pH 10;Temp: 25 °C | (1) ACD |
Molar Solubility | 5.8 x 10-7 mol/L | Unbuffered Water pH 6.99;Temp: 25 °C | (1) ACD |
Molekular na Timbang | 546.57 | ||
pKa | 9.39±0.10 | Pinakamaasim na Temp: 25 °C | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Densidad
Ari-arian | Halaga | Kundisyon | Pinagmulan |
Densidad | 1.343±0.06 g/cm3 | Temp: 20 °C;Pindutin ang: 760 Torr | (1) ACD |
Dami ng Molar | 406.9±3.0 cm3/mol | Temp: 20 °C;Pindutin ang: 760 Torr | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
Ari-arian | Halaga | Kundisyon | Pinagmulan |
Mga Malayang Naiikot na Bono | 11 | (1) ACD | |
H Mga Tatanggap | 10 | (1) ACD | |
H Mga Donor | 3 | (1) ACD | |
H Donor/Acceptor Sum | 13 | (1) ACD | |
logP | 4.192±0.628 | Temp: 25 °C | (1) ACD |
Ari-arian | Halaga | Kundisyon | Pinagmulan |
Molekular na Timbang | 546.57 |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Kaugnay na Istruktura
Ari-arian | Halaga | Kundisyon | Pinagmulan |
Polar Surface Area | 127 A2 | (1) ACD |
(1) Kinakalkula gamit ang Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Available ang spectra
1H NMR
13C NMR