Found 1 result

Search term: 78439022 (Found by CSID)
ChemSpider 2D Image | 3-[(1R,2S,3S,4S,4aS,6S,8aS)-4-Chloro-2,3-dihydroxy-1,2,6-trimethyldecahydro-1-naphthalenyl]-3-oxopropyl acetate | C18H29ClO5

3-[(1R,2S,3S,4S,4aS,6S,8aS)-4-Chloro-2,3-dihydroxy-1,2,6-trimethyldecahydro-1-naphthalenyl]-3-oxopropyl acetate

  • Molecular FormulaC18H29ClO5
  • Average mass360.873 Da
  • Monoisotopic mass360.170349 Da
  • ChemSpider ID78439022

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

1-Propanone, 3-(acetyloxy)-1-[(1R,2S,3S,4S,4aS,6S,8aS)-4-chlorodecahydro-2,3-dihydroxy-1,2,6-trimethyl-1-naphthalenyl]- [ACD/Index Name]
3-[(1R,2S,3S,4S,4aS,6S,8aS)-4-Chlor-2,3-dihydroxy-1,2,6-trimethyldecahydro-1-naphthalinyl]-3-oxopropyl-acetat [German] [ACD/IUPAC Name]
3-[(1R,2S,3S,4S,4aS,6S,8aS)-4-Chloro-2,3-dihydroxy-1,2,6-trimethyldecahydro-1-naphthalenyl]-3-oxopropyl acetate [ACD/IUPAC Name]
Acétate de 3-[(1R,2S,3S,4S,4aS,6S,8aS)-4-chloro-2,3-dihydroxy-1,2,6-triméthyldécahydro-1-naphtalényl]-3-oxopropyle [French] [ACD/IUPAC Name]
Libertalide J

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

Density: 1.2±0.1 g/cm3
Boiling Point: 477.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.5±6.0 kJ/mol
Flash Point: 242.8±28.7 °C
Index of Refraction: 1.524
Molar Refractivity: 91.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 43.15
ACD/KOC (pH 5.5): 515.15
ACD/LogD (pH 7.4): 2.45
ACD/BCF (pH 7.4): 43.15
ACD/KOC (pH 7.4): 515.15
Polar Surface Area: 84 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 46.8±5.0 dyne/cm
Molar Volume: 297.5±5.0 cm3

Click to predict properties on the Chemicalize site


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