ChemSpider 2D Image | (3aR,5R,6S,7R,7aR)-2,5-Bis(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazole-6,7-diol | C8H13NO6

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

  • Molecular FormulaC8H13NO6
  • Average mass219.192 Da
  • Monoisotopic mass219.074280 Da
  • ChemSpider ID35035969

  • 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)-2,5-Bis(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-6,7-diol [German] [ACD/IUPAC Name]
(3aR,5R,6S,7R,7aR)-2,5-Bis(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazole-6,7-diol [ACD/IUPAC Name]
(3aR,5R,6S,7R,7aR)-2,5-Bis(hydroxyméthyl)-5,6,7,7a-tétrahydro-3aH-pyrano[3,2-d][1,3]oxazole-6,7-diol [French] [ACD/IUPAC Name]
5H-Pyrano[3,2-d]oxazole-2,5-dimethanol, 3a,6,7,7a-tetrahydro-6,7-dihydroxy-, (3aR,5R,6S,7R,7aR)- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 481.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 86.0±6.0 kJ/mol
Flash Point: 244.9±28.7 °C
Index of Refraction: 1.712
Molar Refractivity: 43.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.42
ACD/LogD (pH 5.5): -1.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.11
ACD/LogD (pH 7.4): -1.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.14
Polar Surface Area: 112 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 81.7±7.0 dyne/cm
Molar Volume: 111.2±7.0 cm3

Click to predict properties on the Chemicalize site


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