ChemSpider 2D Image | Methyl [5-(5-amino-2,7-dioxohexahydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]acetate | C12H18N4O6S2

Methyl [5-(5-amino-2,7-dioxohexahydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]acetate

  • Molecular FormulaC12H18N4O6S2
  • Average mass378.424 Da
  • Monoisotopic mass378.066772 Da
  • ChemSpider ID129037623

More details:






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

[5-(5-Amino-2,7-dioxohexahydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl)-2-(hydroxyméthyl)-1,3-oxathiolan-4-yl]acétate de méthyle [French] [ACD/IUPAC Name]
1,3-Oxathiolane-4-acetic acid, 5-(5-aminohexahydro-2,7-dioxothiazolo[4,5-d]pyrimidin-3(2H)-yl)-2-(hydroxymethyl)-, methyl ester [ACD/Index Name]
Methyl [5-(5-amino-2,7-dioxohexahydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]acetate [ACD/IUPAC Name]
Methyl-[5-(5-amino-2,7-dioxohexahydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]acetat [German] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.604
Molar Refractivity: 87.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.54
ACD/LogD (pH 5.5): -2.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.91
Polar Surface Area: 194 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 252.9±3.0 cm3

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