![C30H30N2O8 Uridin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C30H30N2O8 Uridin, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]- (9CI, ACI)
| Schlëssel kierperlech Eegeschaften | Wäert | Zoustand |
| Molekulare Gewiicht | 546,57 | - |
| Schmelzpunkt (Experimentell) | 111-112 °C | Léisungsmëttel: Ethylacetat |
| Dicht (virausgesot) | 1,343 ± 0,06 g/cm3 | Temperatur: 20 °C; Press: 760 Torr |
| pKa (virausgesot) | 9,39 ± 0,10 | Déi meescht sauer Temperatur: 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
Isomeresch 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 Schlëssel
PCFSNQYXXACUHM-YULOIDQLSA-N
4 Aner Nimm fir dës Substanz
5'-O-[Bis(4-methoxyphenyl)phenylmethyl]uridin (ACI); Uridin, 5'-O-[α,α-bis(p-methoxyphenyl)benzyl]- (7CI); 5'-Dimethoxytrityl uridin; 5'-O-(4,4'-Dimethoxytrityl)uridin
| Eegeschafte verfügbar |
| Thermesch |
Thermesch
| Immobilie | Wäert | Zoustand | Quell | |
| Schmelzpunkt | 122-123 °C | (1) CAS | ||
| Schmelzpunkt | 111-112 °C | Léisungsmëttel: | Ethylacetat | (2) CAS |
| Schmelzpunkt | Gesinn Voll Text | (3) CAS | ||
(1) Zekri, Neger; Bulletin vun der Chemesch Gesellschaft vun Äthiopien, (2010), 24(2), 299-304, CAplus
(2) Patil, Premanand Ramrao; Journal of Carbohydrate Chemistry, (2008), 27(5), 279-293, CAplus
(3) Khalafi-Nezhad, Ali; Tetrahedron Letters, (2004), 45(36), 6737-6739, CAplus
Spektrum verfügbar
1H NMR
13C NMR
Mass
| Eegeschafte verfügbar |
| Biologesch |
| Chemesch |
| Dicht |
| Lipinski |
| Struktur Zesummenhang |
Biologesch
| Immobilie | Wäert | Zoustand | Quell |
| Biokonzentratiounsfaktor | 904 | pH 1; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 904 | pH 2; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 904 | pH 3; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 904 | pH 4; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 904 | pH 5; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 904 | pH 6; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 900 | pH 7; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 861 | pH 8; Temperatur: 25 °C | (1) ACD |
| Biokonzentratiounsfaktor | 602 | pH 9; Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Biokonzentratiounsfaktor | 156 | pH 10; Temperatur: 25 °C | (1) ACD |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Chemesch
| Immobilie | Wäert | Zoustand | Quell |
| Koc | 4550 | pH 1; Temperatur: 25 °C | (1) ACD |
| Koc | 4550 | pH 2; Temperatur: 25 °C | (1) ACD |
| Koc | 4550 | pH 3; Temperatur: 25 °C | (1) ACD |
| Koc | 4550 | pH 4; Temperatur: 25 °C | (1) ACD |
| Koc | 4550 | pH 5; Temperatur: 25 °C | (1) ACD |
| Koc | 4540 | pH 6; Temperatur: 25 °C | (1) ACD |
| Koc | 4520 | pH 7; Temperatur: 25 °C | (1) ACD |
| Koc | 4330 | pH 8; Temperatur: 25 °C | (1) ACD |
| Koc | 3030 | pH 9; Temperatur: 25 °C | (1) ACD |
| Koc | 785 | pH 10; Temperatur: 25 °C | (1) ACD |
| log D | 4.19 | pH 1; Temperatur: 25 °C | (1) ACD |
| log D | 4.19 | pH 2; Temperatur: 25 °C | (1) ACD |
| log D | 4.19 | pH 3; Temperatur: 25 °C | (1) ACD |
| log D | 4.19 | pH 4; Temperatur: 25 °C | (1) ACD |
| log D | 4.19 | pH 5; Temperatur: 25 °C | (1) ACD |
| log D | 4.19 | pH 6; Temperatur: 25 °C | (1) ACD |
| log D | 4.19 | pH 7; Temperatur: 25 °C | (1) ACD |
| log D | 4.17 | pH 8; Temperatur: 25 °C | (1) ACD |
| log D | 4.02 | pH 9; Temperatur: 25 °C | (1) ACD |
| log D | 3.43 | pH 10; Temperatur: 25 °C | (1) ACD |
| logP | 4,192±0,628 | Temperatur: 25 °C | (1) ACD |
| Mass Intrinsesch Solubilitéit | 3,2 x 10-4 g/L | Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,2 x 10-4 g/L | pH 1; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,2 x 10-4 g/L | pH 2; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,2 x 10-4 g/L | pH 3; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,2 x 10-4 g/L | pH 4; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,2 x 10-4 g/L | pH 5; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,2 x 10-4 g/L | pH 6; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,2 x 10-4 g/L | pH 7; Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Mass Solubilitéit | 3,3 x 10-4 g/l | pH 8; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 4,8 x 10-4 g/L | pH 9; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 1,9 x 10-3 g/l | pH 10; Temperatur: 25 °C | (1) ACD |
| Mass Solubilitéit | 3,2 x 10-4 g/L | Ongebuffert Waasser pH 6,99; Temperatur: 25 °C | (1) ACD |
| Molar Intrinsesch Solubilitéit | 5,8 x 10-7 mol/l | Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 5,8 x 10-7 mol/l | pH 1; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 5,8 x 10-7 mol/l | pH 2; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 5,8 x 10-7 mol/l | pH 3; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 5,8 x 10-7 mol/l | pH 4; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 5,8 x 10-7 mol/l | pH 5; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 5,8 x 10-7 mol/l | pH 6; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 5,8 x 10-7 mol/l | pH 7; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 6,1 x 10-7 mol/l | pH 8; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 8,7 x 10-7 mol/l | pH 9; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 3,4 x 10-6 mol/l | pH 10; Temperatur: 25 °C | (1) ACD |
| Molar Solubilitéit | 5,8 x 10-7 mol/l | Ongebuffert Waasser pH 6,99; Temperatur: 25 °C | (1) ACD |
| Molekulare Gewiicht | 546,57 | ||
| pKa | 9,39 ± 0,10 | Déi meescht sauer Temperatur: 25 °C | (1) ACD |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Dicht
| Immobilie | Wäert | Zoustand | Quell |
| Dicht | 1,343 ± 0,06 g/cm3 | Temperatur: 20 °C; Press: 760 Torr | (1) ACD |
| Molar Volumen | 406,9 ± 3,0 cm3/mol | Temperatur: 20 °C; Press: 760 Torr | (1) ACD |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Immobilie | Wäert | Zoustand | Quell |
| Fräi rotéierbar Obligatiounen | 11 | (1) ACD | |
| H Akzepter | 10 | (1) ACD | |
| H Donateuren | 3 | (1) ACD | |
| H Donateur / Akzeptanz Zomm | 13 | (1) ACD | |
| logP | 4,192±0,628 | Temperatur: 25 °C | (1) ACD |
| Immobilie | Wäert | Zoustand | Quell |
| Molekulare Gewiicht | 546,57 | ||
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Struktur Zesummenhang
| Immobilie | Wäert | Zoustand | Quell |
| Polar Fläch Beräich | 127 A2 | (1) ACD | |
(1) Berechent mat Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)
Spektrum verfügbar
1H NMR
13C NMR
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