ChemSpider 2D Image | (3R)-5-[(1R,3R,4aS,8aS)-3-Hydroperoxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]-3-methyl-1-penten-3-yl 4-O-acetyl-6-deoxy-alpha-L-idopyranoside | C28H46O8

(3R)-5-[(1R,3R,4aS,8aS)-3-Hydroperoxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]-3-methyl-1-penten-3-yl 4-O-acetyl-6-deoxy-α-L-idopyranoside

  • Molecular FormulaC28H46O8
  • Average mass510.660 Da
  • Monoisotopic mass510.319275 Da
  • ChemSpider ID8656859

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3R)-5-[(1R,3R,4aS,8aS)-3-Hydroperoxy-5,5,8a-trimethyl-2-methylendecahydro-1-naphthalinyl]-3-methyl-1-penten-3-yl-4-O-acetyl-6-desoxy-α-L-idopyranosid [German] [ACD/IUPAC Name]
(3R)-5-[(1R,3R,4aS,8aS)-3-Hydroperoxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]-3-methyl-1-penten-3-yl 4-O-acetyl-6-deoxy-α-L-idopyranoside [ACD/IUPAC Name]
4-O-Acétyl-6-désoxy-α-L-idopyranoside de (3R)-5-[(1R,3R,4aS,8aS)-3-hydroperoxy-5,5,8a-triméthyl-2-méthylènedécahydro-1-naphtalényl]-3-méthyl-1-pentén-3-yle [French] [ACD/IUPAC Name]
α-L-Idopyranoside, (1R)-1-[2-[(1R,3R,4aS,8aS)-decahydro-3-hydroperoxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]ethyl]-1-methyl-2-propen-1-yl 6-deoxy-, 4-acetate [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 599.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.4±6.0 kJ/mol
Flash Point: 186.4±23.6 °C
Index of Refraction: 1.532
Molar Refractivity: 136.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.75
ACD/LogD (pH 5.5): 5.83
ACD/BCF (pH 5.5): 15838.40
ACD/KOC (pH 5.5): 35297.25
ACD/LogD (pH 7.4): 5.83
ACD/BCF (pH 7.4): 15837.83
ACD/KOC (pH 7.4): 35295.98
Polar Surface Area: 115 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 439.9±5.0 cm3

Click to predict properties on the Chemicalize site


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