ChemSpider 2D Image | Acremine I | C12H16O5

Acremine I

  • Molecular FormulaC12H16O5
  • Average mass240.252 Da
  • Monoisotopic mass240.099777 Da
  • ChemSpider ID27445048

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,5R,6R)-5-Hydroxy-4-[(2R,3S)-3-(2-hydroxy-2-propanyl)-2-oxiranyl]-1-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-on [German] [ACD/IUPAC Name]
(1R,5R,6R)-5-Hydroxy-4-[(2R,3S)-3-(2-hydroxy-2-propanyl)-2-oxiranyl]-1-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-one [ACD/IUPAC Name]
(1R,5R,6R)-5-Hydroxy-4-[(2R,3S)-3-(2-hydroxy-2-propanyl)-2-oxiranyl]-1-méthyl-7-oxabicyclo[4.1.0]hept-3-én-2-one [French] [ACD/IUPAC Name]
1110661-29-4 [RN]
7-Oxabicyclo[4.1.0]hept-3-en-2-one, 5-hydroxy-4-[(2R,3S)-3-(1-hydroxy-1-methylethyl)oxiranyl]-1-methyl-, (1R,5R,6R)- [ACD/Index Name]
Acremine I
(1R,2R,6R)-2-hydroxy-3-[(2R,3S)-3-(1-hydroxy-1-methyl-ethyl)oxiran-2-yl]-6-methyl-7-oxabicyclo[4.1.0]hept-3-en-5-one
(1R,5R,6R)-5-hydroxy-4-[(2R,3S)-3-(1-hydroxy-1-methylethyl)-2-oxiranyl]-1-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-one
Acremin I

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

Density: 1.5±0.1 g/cm3
Boiling Point: 439.9±45.0 °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: 173.2±22.2 °C
Index of Refraction: 1.629
Molar Refractivity: 57.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.56
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.69
ACD/LogD (pH 7.4): -0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.69
Polar Surface Area: 83 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 72.9±3.0 dyne/cm
Molar Volume: 161.0±3.0 cm3

Click to predict properties on the Chemicalize site


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