ChemSpider 2D Image | 2-Amino-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-glycero-pentofuranosyl]-3,9-dihydro-6H-purin-6-one | C10H16N5O14P3

2-Amino-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-glycero-pentofuranosyl]-3,9-dihydro-6H-purin-6-one

  • Molecular FormulaC10H16N5O14P3
  • Average mass523.180 Da
  • Monoisotopic mass522.990662 Da
  • ChemSpider ID2342064
  • defined stereocentres - 2 of 4 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Amino-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-glycero-pentofuranosyl]-3,9-dihydro-6H-purin-6-on [German] [ACD/IUPAC Name]
2-Amino-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-glycero-pentofuranosyl]-3,9-dihydro-6H-purin-6-one [ACD/IUPAC Name]
2-Amino-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-glycéro-pentofuranosyl]-3,9-dihydro-6H-purin-6-one [French] [ACD/IUPAC Name]
6H-Purin-6-one, 2-amino-3,9-dihydro-9-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-glycero-pentofuranosyl]- [ACD/Index Name]
259-940-7 [EINECS]
28141-84-6 [RN]
56001-37-7 [RN]
disodium [[[5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] hydrogen phosphate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.8±0.1 g/cm3
Boiling Point: 1028.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.4±3.0 kJ/mol
Flash Point: 575.7±37.1 °C
Index of Refraction: 1.936
Molar Refractivity: 90.7±0.5 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.38
ACD/LogD (pH 5.5): -10.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 324 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 215.8±7.0 dyne/cm
Molar Volume: 189.6±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement