ChemSpider 2D Image | (4R,5aS,9S,9aS)-9-Hydroxy-6,6,9a-trimethyl-3-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydronaphtho[1,2-c]furan-4-yl N-acetyl-L-valinate | C22H33NO6

(4R,5aS,9S,9aS)-9-Hydroxy-6,6,9a-trimethyl-3-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydronaphtho[1,2-c]furan-4-yl N-acetyl-L-valinate

  • Molecular FormulaC22H33NO6
  • Average mass407.500 Da
  • Monoisotopic mass407.230774 Da
  • ChemSpider ID35517060

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(4R,5aS,9S,9aS)-9-Hydroxy-6,6,9a-trimethyl-3-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydronaphtho[1,2-c]furan-4-yl N-acetyl-L-valinate [ACD/IUPAC Name]
(4R,5aS,9S,9aS)-9-Hydroxy-6,6,9a-trimethyl-3-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydronaphtho[1,2-c]furan-4-yl-N-acetyl-L-valinat [German] [ACD/IUPAC Name]
L-Valine, N-acetyl-, (4R,5aS,9S,9aS)-1,3,4,5,5a,6,7,8,9,9a-decahydro-9-hydroxy-6,6,9a-trimethyl-3-oxonaphtho[1,2-c]furan-4-yl ester [ACD/Index Name]
N-Acétyl-L-valinate de (4R,5aS,9S,9aS)-9-hydroxy-6,6,9a-triméthyl-3-oxo-1,3,4,5,5a,6,7,8,9,9a-décahydronaphto[1,2-c]furan-4-yle [French] [ACD/IUPAC Name]
Minioluteumide E

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

Density: 1.2±0.1 g/cm3
Boiling Point: 601.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.7±6.0 kJ/mol
Flash Point: 317.8±31.5 °C
Index of Refraction: 1.540
Molar Refractivity: 106.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 49.43
ACD/KOC (pH 5.5): 567.74
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 49.43
ACD/KOC (pH 7.4): 567.74
Polar Surface Area: 102 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 338.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement