ChemSpider 2D Image | N-{2-Amino-5-[formyl(methyl)amino]-6-oxo-5,6-dihydro-4(3H)-pyrimidinylidene}-2-deoxy-3-O-phosphonopentofuranosylamine | C11H18N5O8P

N-{2-Amino-5-[formyl(methyl)amino]-6-oxo-5,6-dihydro-4(3H)-pyrimidinylidene}-2-deoxy-3-O-phosphonopentofuranosylamine

  • Molecular FormulaC11H18N5O8P
  • Average mass379.263 Da
  • Monoisotopic mass379.089294 Da
  • ChemSpider ID95638411

More details:

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

N-{2-Amino-5-[formyl(methyl)amino]-6-oxo-5,6-dihydro-4(3H)-pyrimidinyliden}-2-desoxy-3-O-phosphonopentofuranosylamin [German] [ACD/IUPAC Name]
N-{2-Amino-5-[formyl(methyl)amino]-6-oxo-5,6-dihydro-4(3H)-pyrimidinylidene}-2-deoxy-3-O-phosphonopentofuranosylamine [ACD/IUPAC Name]
N-{2-Amino-5-[formyl(méthyl)amino]-6-oxo-5,6-dihydro-4(3H)-pyrimidinylidène}-2-désoxy-3-O-phosphonopentofuranosylamine [French] [ACD/IUPAC Name]
Pentofuranosylamine, N-[2-amino-5-(formylmethylamino)-5,6-dihydro-6-oxo-4(3H)-pyrimidinylidene]-2-deoxy-, 3-(dihydrogen phosphate) [ACD/Index 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: 740.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.2±6.0 kJ/mol
Flash Point: 401.4±35.7 °C
Index of Refraction: 1.751
Molar Refractivity: 77.7±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -4.88
ACD/LogD (pH 5.5): -8.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 206 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 102.9±7.0 dyne/cm
Molar Volume: 190.6±7.0 cm3

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