ChemSpider 2D Image | 2-Amino-1-{5-O-[hydroxy(phosphonooxy)phosphoryl]-beta-D-ribofuranosyl}-4(1H)-pyrimidinone | C9H15N3O11P2

2-Amino-1-{5-O-[hydroxy(phosphonooxy)phosphoryl]-β-D-ribofuranosyl}-4(1H)-pyrimidinone

  • Molecular FormulaC9H15N3O11P2
  • Average mass403.176 Da
  • Monoisotopic mass403.018188 Da
  • ChemSpider ID26347860

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Amino-1-{5-O-[hydroxy(phosphonooxy)phosphoryl]-β-D-ribofuranosyl}-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
2-Amino-1-{5-O-[hydroxy(phosphonooxy)phosphoryl]-β-D-ribofuranosyl}-4(1H)-pyrimidinone [ACD/IUPAC Name]
2-Amino-1-{5-O-[hydroxy(phosphonooxy)phosphoryl]-β-D-ribofuranosyl}-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]
4(1H)-Pyrimidinone, 2-amino-1-[5-O-[hydroxy(phosphonooxy)phosphinyl]-β-D-ribofuranosyl]- [ACD/Index 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: 767.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.4±6.0 kJ/mol
Flash Point: 417.9±35.7 °C
Index of Refraction: 1.789
Molar Refractivity: 72.5±0.5 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -4.87
ACD/LogD (pH 5.5): -9.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 241 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 150.9±7.0 dyne/cm
Molar Volume: 171.4±7.0 cm3

Click to predict properties on the Chemicalize site


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