ChemSpider 2D Image | 4-Amino-1-[(3xi)-2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-glycero-pentofuranosyl]-2(1H)-pyrimidinone | C9H16N3O13P3

4-Amino-1-[(3ξ)-2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-glycero-pentofuranosyl]-2(1H)-pyrimidinone

  • Molecular FormulaC9H16N3O13P3
  • Average mass467.157 Da
  • Monoisotopic mass466.989594 Da
  • ChemSpider ID115053023

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[(3ξ)-2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-D-glycero-pentofuranosyl]- [ACD/Index Name]
4-Amino-1-[(3ξ)-2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-glycero-pentofuranosyl]-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-[(3ξ)-2-desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-glycero-pentofuranosyl]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-[(3ξ)-2-désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-glycéro-pentofuranosyl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.4±0.1 g/cm3
Boiling Point: 811.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.3±6.0 kJ/mol
Flash Point: 444.6±37.1 °C
Index of Refraction: 1.775
Molar Refractivity: 81.6±0.5 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -5.87
ACD/LogD (pH 5.5): -12.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 277 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 162.2±7.0 dyne/cm
Molar Volume: 195.5±7.0 cm3

Click to predict properties on the Chemicalize site


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