ChemSpider 2D Image | 4-Amino-1-{5-O-[(carboxymethyl)(hydroxy)phosphoryl]-D-ribofuranosyl}-2(1H)-pyrimidinone | C11H16N3O9P

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

  • Molecular FormulaC11H16N3O9P
  • Average mass365.233 Da
  • Monoisotopic mass365.062408 Da
  • ChemSpider ID24673852

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[5-O-[(carboxymethyl)hydroxyphosphinyl]-D-ribofuranosyl]- [ACD/Index Name]
4-Amino-1-{5-O-[(carboxymethyl)(hydroxy)phosphoryl]-D-ribofuranosyl}-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-{5-O-[(carboxymethyl)(hydroxy)phosphoryl]-D-ribofuranosyl}-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-{5-O-[(carboxyméthyl)(hydroxy)phosphoryl]-D-ribofuranosyl}-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 721.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.4±6.0 kJ/mol
Flash Point: 390.2±35.7 °C
Index of Refraction: 1.744
Molar Refractivity: 72.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -3.21
ACD/LogD (pH 5.5): -7.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 109.9±7.0 dyne/cm
Molar Volume: 179.4±7.0 cm3

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