ChemSpider 2D Image | 2'-Deoxysepiapterin | C9H11N5O2

2'-Deoxysepiapterin

  • Molecular FormulaC9H11N5O2
  • Average mass221.216 Da
  • Monoisotopic mass221.091278 Da
  • ChemSpider ID13628076

More details:

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

2'-Deoxysepiapterin
1797-87-1 [RN]
2-Amino-6-propionyl-7,8-dihydro-4(1H)-pteridinon [German] [ACD/IUPAC Name]
2-Amino-6-propionyl-7,8-dihydro-4(1H)-pteridinone [ACD/IUPAC Name]
2-Amino-6-propionyl-7,8-dihydro-4(1H)-ptéridinone [French] [ACD/IUPAC Name]
2-amino-7,8-dihydro-6-propionyl-4(3H)-Pteridinone
4(1H)-Pteridinone, 2-amino-7,8-dihydro-6-(1-oxopropyl)- [ACD/Index Name]
Deoxysepiapterin
Isosepiapterin
2-amino-7,8-dihydro-6-(1-oxopropyl)-4(1H)-Pteridin
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 1.7±0.1 g/cm3
Boiling Point: 400.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.1±3.0 kJ/mol
Flash Point: 195.9±31.5 °C
Index of Refraction: 1.782
Molar Refractivity: 54.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -3.12
ACD/LogD (pH 5.5): -3.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 75.2±7.0 dyne/cm
Molar Volume: 129.8±7.0 cm3

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