ChemSpider 2D Image | 2-Amino-7-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-4(1H)-pteridinone | C9H15N5O3

2-Amino-7-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-4(1H)-pteridinone

  • Molecular FormulaC9H15N5O3
  • Average mass241.247 Da
  • Monoisotopic mass241.117493 Da
  • ChemSpider ID26374670

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1,2-Propanediol, 1-(2-amino-5,6,7,8-tetrahydro-4-hydroxy-7-pteridinyl)-, (1R,2S)- [ACD/Index Name]
2-Amino-7-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-4(1H)-pteridinon [German] [ACD/IUPAC Name]
2-Amino-7-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydro-4(1H)-pteridinone [ACD/IUPAC Name]
2-Amino-7-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tétrahydro-4(1H)-ptéridinone [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 639.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 340.5±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 59.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -0.31
ACD/LogD (pH 5.5): -3.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 82.6±3.0 dyne/cm
Molar Volume: 163.0±3.0 cm3

Click to predict properties on the Chemicalize site


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