ChemSpider 2D Image | (1S,3R,7S,8S,8aR)-8-[(3R,5R)-3,5-Dihydroxy-7-(hydroxyamino)-7-oxoheptyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl (2S)-2-methylbutanoate | C24H39NO6

(1S,3R,7S,8S,8aR)-8-[(3R,5R)-3,5-Dihydroxy-7-(hydroxyamino)-7-oxoheptyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl (2S)-2-methylbutanoate

  • Molecular FormulaC24H39NO6
  • Average mass437.570 Da
  • Monoisotopic mass437.277740 Da
  • ChemSpider ID29406819

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,3R,7S,8S,8aR)-8-[(3R,5R)-3,5-Dihydroxy-7-(hydroxyamino)-7-oxoheptyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl (2S)-2-methylbutanoate [ACD/IUPAC Name]
(1S,3R,7S,8S,8aR)-8-[(3R,5R)-3,5-Dihydroxy-7-(hydroxyamino)-7-oxoheptyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalinyl-(2S)-2-methylbutanoat [German] [ACD/IUPAC Name]
(2S)-2-Méthylbutanoate de (1S,3R,7S,8S,8aR)-8-[(3R,5R)-3,5-dihydroxy-7-(hydroxyamino)-7-oxoheptyl]-3,7-diméthyl-1,2,3,7,8,8a-hexahydro-1-naphtalényle [French] [ACD/IUPAC Name]
Butanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-8-[(3R,5R)-3,5-dihydroxy-7-(hydroxyamino)-7-oxoheptyl]-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-1-naphthalenyl ester, (2S)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.545
Molar Refractivity: 118.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 75.06
ACD/KOC (pH 5.5): 765.61
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 73.92
ACD/KOC (pH 7.4): 753.93
Polar Surface Area: 116 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 375.4±5.0 cm3

Click to predict properties on the Chemicalize site


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