ChemSpider 2D Image | {5-(5-Amino-2,7-dioxohexahydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl)-2-[(1S)-1-hydroxyethyl]-1,3-oxathiolan-4-yl}acetic acid | C12H18N4O6S2

{5-(5-Amino-2,7-dioxohexahydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl)-2-[(1S)-1-hydroxyethyl]-1,3-oxathiolan-4-yl}acetic acid

  • Molecular FormulaC12H18N4O6S2
  • Average mass378.424 Da
  • Monoisotopic mass378.066772 Da
  • ChemSpider ID129039837

  • defined stereocentres - 1 of 7 defined stereocentres

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-[(1S)-1-hydroxyethyl]-1,3-oxathiolan-4-yl}acetic acid [ACD/IUPAC Name]
{5-(5-Amino-2,7-dioxohexahydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl)-2-[(1S)-1-hydroxyethyl]-1,3-oxathiolan-4-yl}essigsäure [German] [ACD/IUPAC Name]
1,3-Oxathiolane-4-acetic acid, 5-(5-aminohexahydro-2,7-dioxothiazolo[4,5-d]pyrimidin-3(2H)-yl)-2-[(1S)-1-hydroxyethyl]- [ACD/Index Name]
Acide {5-(5-amino-2,7-dioxohexahydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl)-2-[(1S)-1-hydroxyéthyl]-1,3-oxathiolan-4-yl}acétique [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.635
Molar Refractivity: 86.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.42
ACD/LogD (pH 5.5): -3.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 205 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 68.0±3.0 dyne/cm
Molar Volume: 242.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement