ChemSpider 2D Image | (3S,3aS,9aS)-3-Hydroxyhexahydro-7H-cyclopenta[d]pyrrolo[1,2-c][1,3]oxazol-5-one | C9H13NO3

(3S,3aS,9aS)-3-Hydroxyhexahydro-7H-cyclopenta[d]pyrrolo[1,2-c][1,3]oxazol-5-one

  • Molecular FormulaC9H13NO3
  • Average mass183.204 Da
  • Monoisotopic mass183.089539 Da
  • ChemSpider ID30658768

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,3aS,9aS)-3-Hydroxyhexahydro-7H-cyclopenta[d]pyrrolo[1,2-c][1,3]oxazol-5-on [German] [ACD/IUPAC Name]
(3S,3aS,9aS)-3-Hydroxyhexahydro-7H-cyclopenta[d]pyrrolo[1,2-c][1,3]oxazol-5-one [ACD/IUPAC Name]
(3S,3aS,9aS)-3-Hydroxyhexahydro-7H-cyclopenta[d]pyrrolo[1,2-c][1,3]oxazol-5-one [French] [ACD/IUPAC Name]
5H,7H-Cyclopenta[d]pyrrolo[1,2-c]oxazol-5-one, hexahydro-3-hydroxy-, (3S,3aS,9aS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 439.8±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±6.0 kJ/mol
Flash Point: 219.8±25.7 °C
Index of Refraction: 1.603
Molar Refractivity: 44.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.28
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.54
ACD/KOC (pH 5.5): 47.47
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.54
ACD/KOC (pH 7.4): 47.47
Polar Surface Area: 50 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 60.0±5.0 dyne/cm
Molar Volume: 130.4±5.0 cm3

Click to predict properties on the Chemicalize site


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