ChemSpider 2D Image | 2-amino-6-[(1R)-1,2-dihydroxypropyl]-7,8-dihydro-1H-pteridin-4-one | C9H13N5O3

2-amino-6-[(1R)-1,2-dihydroxypropyl]-7,8-dihydro-1H-pteridin-4-one

  • Molecular FormulaC9H13N5O3
  • Average mass239.231 Da
  • Monoisotopic mass239.101837 Da
  • ChemSpider ID21467406

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2-amino-6-[(1R)-1,2-dihydroxypropyl]-7,8-dihydro-1H-pteridin-4-one
2-Amino-6-[(1R)-1,2-dihydroxypropyl]-7,8-dihydro-4(1H)-pteridinon [German] [ACD/IUPAC Name]
2-Amino-6-[(1R)-1,2-dihydroxypropyl]-7,8-dihydro-4(1H)-pteridinone [ACD/IUPAC Name]
2-Amino-6-[(1R)-1,2-dihydroxypropyl]-7,8-dihydro-4(1H)-ptéridinone [French] [ACD/IUPAC Name]
4(1H)-Pteridinone, 2-amino-6-[(1R)-1,2-dihydroxypropyl]-7,8-dihydro- [ACD/Index Name]
7,8-Dihydro-L-biopterin

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

Density: 1.9±0.1 g/cm3
Boiling Point: 470.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.6±6.0 kJ/mol
Flash Point: 238.5±31.5 °C
Index of Refraction: 1.822
Molar Refractivity: 55.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -3.39
ACD/LogD (pH 5.5): -4.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 22.0±0.5 10-24cm3
Surface Tension: 86.7±7.0 dyne/cm
Molar Volume: 127.1±7.0 cm3

Click to predict properties on the Chemicalize site


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