ChemSpider 2D Image | N-{[2-(Methylsulfanyl)-9-(beta-D-glycero-pentofuranosyl)-9H-purin-6-yl]carbamoyl}-L-threonine | C16H22N6O8S

N-{[2-(Methylsulfanyl)-9-(β-D-glycero-pentofuranosyl)-9H-purin-6-yl]carbamoyl}-L-threonine

  • Molecular FormulaC16H22N6O8S
  • Average mass458.446 Da
  • Monoisotopic mass458.121979 Da
  • ChemSpider ID107444012

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

L-Threonine, N-[[[2-(methylthio)-9-β-D-glycero-pentofuranosyl-9H-purin-6-yl]amino]carbonyl]- [ACD/Index Name]
N-{[2-(Methylsulfanyl)-9-(β-D-glycero-pentofuranosyl)-9H-purin-6-yl]carbamoyl}-L-threonin [German] [ACD/IUPAC Name]
N-{[2-(Methylsulfanyl)-9-(β-D-glycero-pentofuranosyl)-9H-purin-6-yl]carbamoyl}-L-threonine [ACD/IUPAC Name]
N-{[2-(Méthylsulfanyl)-9-(β-D-glycéro-pentofuranosyl)-9H-purin-6-yl]carbamoyl}-L-thréonine [French] [ACD/IUPAC Name]
70333-82-3 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.805
Molar Refractivity: 102.7±0.5 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.57
ACD/LogD (pH 5.5): -3.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 237 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 89.0±7.0 dyne/cm
Molar Volume: 239.0±7.0 cm3

Click to predict properties on the Chemicalize site


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