ChemSpider 2D Image | N-{[2-(Methylsulfanyl)-9-(5-O-phosphonopentofuranosyl)-9H-purin-6-yl]carbamoyl}threonine | C16H23N6O11PS

N-{[2-(Methylsulfanyl)-9-(5-O-phosphonopentofuranosyl)-9H-purin-6-yl]carbamoyl}threonine

  • Molecular FormulaC16H23N6O11PS
  • Average mass538.426 Da
  • Monoisotopic mass538.088318 Da
  • ChemSpider ID3667356

More details:

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

N-{[2-(Methylsulfanyl)-9-(5-O-phosphonopentofuranosyl)-9H-purin-6-yl]carbamoyl}threonin [German] [ACD/IUPAC Name]
N-{[2-(Methylsulfanyl)-9-(5-O-phosphonopentofuranosyl)-9H-purin-6-yl]carbamoyl}threonine [ACD/IUPAC Name]
N-{[2-(Méthylsulfanyl)-9-(5-O-phosphonopentofuranosyl)-9H-purin-6-yl]carbamoyl}thréonine [French] [ACD/IUPAC Name]
Threonine, N-[[[2-(methylthio)-9-(5-O-phosphonopentofuranosyl)-9H-purin-6-yl]amino]carbonyl]- [ACD/Index Name]

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.813
Molar Refractivity: 112.6±0.5 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.24
ACD/LogD (pH 5.5): -7.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 294 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 106.8±7.0 dyne/cm
Molar Volume: 260.3±7.0 cm3

Click to predict properties on the Chemicalize site


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