ChemSpider 2D Image | 4-Amino-5-methyl-1-[(3xi)-5-O-phosphono-beta-D-threo-pentofuranosyl]-2(1H)-pyrimidinone | C10H16N3O8P

4-Amino-5-methyl-1-[(3ξ)-5-O-phosphono-β-D-threo-pentofuranosyl]-2(1H)-pyrimidinone

  • Molecular FormulaC10H16N3O8P
  • Average mass337.223 Da
  • Monoisotopic mass337.067505 Da
  • ChemSpider ID71116749

  • 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-5-methyl-1-[(3ξ)-5-O-phosphono-β-D-threo-pentofuranosyl]- [ACD/Index Name]
4-Amino-5-methyl-1-[(3ξ)-5-O-phosphono-β-D-threo-pentofuranosyl]-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-5-methyl-1-[(3ξ)-5-O-phosphono-β-D-threo-pentofuranosyl]-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-5-méthyl-1-[(3ξ)-5-O-phosphono-β-D-thréo-pentofuranosyl]-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
3590-36-1 [RN]
5-methyl-CMP
5-Methylcytidine-5'-Monophosphate
5-Methylcytidine-5'-monophosphate|5-Methyl-CMP

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

Density: 2.0±0.1 g/cm3
Boiling Point: 666.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.2±6.0 kJ/mol
Flash Point: 356.9±34.3 °C
Index of Refraction: 1.746
Molar Refractivity: 67.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -0.97
ACD/LogD (pH 5.5): -5.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 185 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 105.2±7.0 dyne/cm
Molar Volume: 165.2±7.0 cm3

Click to predict properties on the Chemicalize site


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