ChemSpider 2D Image | 2-O-{[(1S,4aR,5R,8aS)-5-(Acetoxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]methyl}-3,4-dideoxy-3-(methoxycarbonyl)-D-erythro-pentaric acid | C24H36O9

2-O-{[(1S,4aR,5R,8aS)-5-(Acetoxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]methyl}-3,4-dideoxy-3-(methoxycarbonyl)-D-erythro-pentaric acid

  • Molecular FormulaC24H36O9
  • Average mass468.537 Da
  • Monoisotopic mass468.235931 Da
  • ChemSpider ID78437492

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

2-O-{[(1S,4aR,5R,8aS)-5-(Acetoxymethyl)-5,8a-dimethyl-2-methylendecahydro-1-naphthalinyl]methyl}-3,4-didesoxy-3-(methoxycarbonyl)-D-erythro-pentarsäure [German] [ACD/IUPAC Name]
2-O-{[(1S,4aR,5R,8aS)-5-(Acetoxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]methyl}-3,4-dideoxy-3-(methoxycarbonyl)-D-erythro-pentaric acid [ACD/IUPAC Name]
Acide 2-O-{[(1S,4aR,5R,8aS)-5-(acétoxyméthyl)-5,8a-diméthyl-2-méthylènedécahydro-1-naphtalényl]méthyl}-3,4-didésoxy-3-(méthoxycarbonyl)-D-érythro-pentarique [French] [ACD/IUPAC Name]
D-erythro-Pentaric acid, 2-O-[[(1S,4aR,5R,8aS)-5-[(acetyloxy)methyl]decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl]methyl]-3,4-dideoxy-3-(methoxycarbonyl)- [ACD/Index Name]
Cryptoporic acid P

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

Density: 1.2±0.1 g/cm3
Boiling Point: 614.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 99.6±6.0 kJ/mol
Flash Point: 201.4±25.0 °C
Index of Refraction: 1.524
Molar Refractivity: 117.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 49.8±5.0 dyne/cm
Molar Volume: 383.3±5.0 cm3

Click to predict properties on the Chemicalize site


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