ChemSpider 2D Image | (3aR,5R,6S,7R,7aR)-2-Amino-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol | C7H12N2O4S

(3aR,5R,6S,7R,7aR)-2-Amino-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol

  • Molecular FormulaC7H12N2O4S
  • Average mass220.246 Da
  • Monoisotopic mass220.051773 Da
  • ChemSpider ID57427237

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3aR,5R,6S,7R,7aR)-2-Amino-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6,7-diol [German] [ACD/IUPAC Name]
(3aR,5R,6S,7R,7aR)-2-Amino-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol [ACD/IUPAC Name]
(3aR,5R,6S,7R,7aR)-2-Amino-5-(hydroxyméthyl)-5,6,7,7a-tétrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol [French] [ACD/IUPAC Name]
5H-Pyrano[3,2-d]thiazole-6,7-diol, 2-amino-3a,6,7,7a-tetrahydro-5-(hydroxymethyl)-, (3aR,5R,6S,7R,7aR)- [ACD/Index Name]
1009816-42-5 [RN]
2J4

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

Density: 2.1±0.1 g/cm3
Boiling Point: 529.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.5±6.0 kJ/mol
Flash Point: 274.0±32.9 °C
Index of Refraction: 1.865
Molar Refractivity: 46.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: -0.96
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.31
ACD/LogD (pH 7.4): -1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.32
Polar Surface Area: 134 Å2
Polarizability: 18.4±0.5 10-24cm3
Surface Tension: 104.0±7.0 dyne/cm
Molar Volume: 102.6±7.0 cm3

Click to predict properties on the Chemicalize site


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