ChemSpider 2D Image | (4aS,7S,8R,8aS)-7,8-Dihydroxyhexahydropyrano[3,2-b][1,4]oxazin-3(2H)-one | C7H11NO5

(4aS,7S,8R,8aS)-7,8-Dihydroxyhexahydropyrano[3,2-b][1,4]oxazin-3(2H)-one

  • Molecular FormulaC7H11NO5
  • Average mass189.166 Da
  • Monoisotopic mass189.063721 Da
  • ChemSpider ID30659394

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4aS,7S,8R,8aS)-7,8-Dihydroxyhexahydropyrano[3,2-b][1,4]oxazin-3(2H)-on [German] [ACD/IUPAC Name]
(4aS,7S,8R,8aS)-7,8-Dihydroxyhexahydropyrano[3,2-b][1,4]oxazin-3(2H)-one [ACD/IUPAC Name]
(4aS,7S,8R,8aS)-7,8-Dihydroxyhexahydropyrano[3,2-b][1,4]oxazin-3(2H)-one [French] [ACD/IUPAC Name]
Pyrano[3,2-b]-1,4-oxazin-3(2H)-one, hexahydro-7,8-dihydroxy-, (4aS,7S,8R,8aS)- [ACD/Index 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: 563.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.2±6.0 kJ/mol
Flash Point: 294.3±30.1 °C
Index of Refraction: 1.546
Molar Refractivity: 40.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.78
ACD/LogD (pH 5.5): -1.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.89
ACD/LogD (pH 7.4): -1.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.89
Polar Surface Area: 88 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 127.0±3.0 cm3

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