ChemSpider 2D Image | 2-(Methylsulfanyl)-7-(1,2,3,4-tetrahydroxybutyl)-4(3H)-pteridinone | C11H14N4O5S

2-(Methylsulfanyl)-7-(1,2,3,4-tetrahydroxybutyl)-4(3H)-pteridinone

  • Molecular FormulaC11H14N4O5S
  • Average mass314.318 Da
  • Monoisotopic mass314.068481 Da
  • ChemSpider ID21211247

More details:

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

2-(Methylsulfanyl)-7-(1,2,3,4-tetrahydroxybutyl)-4(3H)-pteridinon [German] [ACD/IUPAC Name]
2-(Methylsulfanyl)-7-(1,2,3,4-tetrahydroxybutyl)-4(3H)-pteridinone [ACD/IUPAC Name]
2-(Méthylsulfanyl)-7-(1,2,3,4-tétrahydroxybutyl)-4(3H)-ptéridinone [French] [ACD/IUPAC Name]
4(3H)-Pteridinone, 2-(methylthio)-7-(1,2,3,4-tetrahydroxybutyl)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.783
Molar Refractivity: 72.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -3.96
ACD/LogD (pH 5.5): -2.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 173 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 83.5±7.0 dyne/cm
Molar Volume: 171.6±7.0 cm3

Click to predict properties on the Chemicalize site


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