ChemSpider 2D Image | (4R,5aS,9S,9aS)-4-Chloro-6,6,9a-trimethyl-3-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydronaphtho[1,2-c]furan-9-yl N-acetyl-L-valinate | C22H32ClNO5

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

  • Molecular FormulaC22H32ClNO5
  • Average mass425.946 Da
  • Monoisotopic mass425.196899 Da
  • ChemSpider ID35517057

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 593.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 312.9±30.1 °C
Index of Refraction: 1.534
Molar Refractivity: 109.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 246.93
ACD/KOC (pH 5.5): 1795.63
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 246.93
ACD/KOC (pH 7.4): 1795.63
Polar Surface Area: 82 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 352.2±5.0 cm3

Click to predict properties on the Chemicalize site


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