ChemSpider 2D Image | 9-O-Acetylglanduline | C29H39NO9

9-O-Acetylglanduline

  • Molecular FormulaC29H39NO9
  • Average mass545.621 Da
  • Monoisotopic mass545.262512 Da
  • ChemSpider ID10275998

  • defined stereocentres - 10 of 14 defined stereocentres

More details:

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

(2α,3α,11α,13S)-3,9-Diacetoxy-11,13,14-trihydroxyhetisan-2-yl 2-methylbutanoate [ACD/IUPAC Name]
(2α,3α,11α,13S)-3,9-Diacetoxy-11,13,14-trihydroxyhetisan-2-yl-2-methylbutanoat [German] [ACD/IUPAC Name]
2-Méthylbutanoate de (2α,3α,11α,13S)-3,9-diacétoxy-11,13,14-trihydroxyhetisan-2-yle [French] [ACD/IUPAC Name]
9-O-Acetylglanduline
Butanoic acid, 2-methyl-, (2α,3α,11α,13S)-3,9-bis(acetyloxy)-11,13,14-trihydroxyhetisan-2-yl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 639.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±6.0 kJ/mol
Flash Point: 340.5±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 135.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 9.14
ACD/KOC (pH 5.5): 156.13
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.16
ACD/KOC (pH 7.4): 207.86
Polar Surface Area: 143 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 66.6±5.0 dyne/cm
Molar Volume: 380.7±5.0 cm3

Click to predict properties on the Chemicalize site


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