ChemSpider 2D Image | (3S,5S)-3-(Hydroxymethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one | C6H9NO3

(3S,5S)-3-(Hydroxymethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one

  • Molecular FormulaC6H9NO3
  • Average mass143.141 Da
  • Monoisotopic mass143.058243 Da
  • ChemSpider ID61694722

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,5S)-3-(Hydroxymethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-on [German] [ACD/IUPAC Name]
(3S,5S)-3-(Hydroxymethyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one [ACD/IUPAC Name]
(3S,5S)-3-(Hydroxyméthyl)-4-oxa-1-azabicyclo[3.2.0]heptan-7-one [French] [ACD/IUPAC Name]
4-Oxa-1-azabicyclo[3.2.0]heptan-7-one, 3-(hydroxymethyl)-, (3S,5S)- [ACD/Index Name]
196942-30-0 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 350.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.9±6.0 kJ/mol
Flash Point: 165.6±25.9 °C
Index of Refraction: 1.577
Molar Refractivity: 33.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.99
ACD/LogD (pH 5.5): -1.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.63
ACD/LogD (pH 7.4): -1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.63
Polar Surface Area: 50 Å2
Polarizability: 13.1±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 99.4±5.0 cm3

Click to predict properties on the Chemicalize site


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