ChemSpider 2D Image | (6R)-2-amino-6-methyl-1,4,5,6,7,8-hexahydropteridin-4-one | C7H11N5O

(6R)-2-amino-6-methyl-1,4,5,6,7,8-hexahydropteridin-4-one

  • Molecular FormulaC7H11N5O
  • Average mass181.195 Da
  • Monoisotopic mass181.096359 Da
  • ChemSpider ID23979784

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6R)-2-amino-6-methyl-1,4,5,6,7,8-hexahydropteridin-4-one
(6R)-2-Amino-6-methyl-5,6,7,8-tetrahydro-4(1H)-pteridinon [German] [ACD/IUPAC Name]
(6R)-2-Amino-6-methyl-5,6,7,8-tetrahydro-4(1H)-pteridinone [ACD/IUPAC Name]
(6R)-2-Amino-6-méthyl-5,6,7,8-tétrahydro-4(1H)-ptéridinone [French] [ACD/IUPAC Name]
(6r)-2-Amino-6-Methyl-5,6,7,8-Tetrahydropteridin-4(3h)-One
136693-01-1 [RN]
4(1H)-Pteridinone, 2-amino-5,6,7,8-tetrahydro-6-methyl-, (6R)- [ACD/Index Name]
(6R)-2-AMINO-6-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-4(1H)-ONE
(R)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(1H)-one
4(1H)-Pteridinone, 2-amino-5,6,7,8-tetrahydro-6-methyl-, (R)- (9CI)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point: 350.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.5±3.0 kJ/mol
Flash Point: 165.5±30.7 °C
Index of Refraction: 1.843
Molar Refractivity: 44.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -2.81
ACD/LogD (pH 5.5): -3.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 79.5±7.0 dyne/cm
Molar Volume: 100.2±7.0 cm3

Click to predict properties on the Chemicalize site


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