ChemSpider 2D Image | (7beta,14S)-15-Oxokaur-16-ene-1,7,12,14-tetrayl tetraacetate | C28H38O9

(7β,14S)-15-Oxokaur-16-ene-1,7,12,14-tetrayl tetraacetate

  • Molecular FormulaC28H38O9
  • Average mass518.596 Da
  • Monoisotopic mass518.251587 Da
  • ChemSpider ID326359

  • defined stereocentres - 2 of 9 defined stereocentres

More details:

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

(7β,14S)-15-Oxokaur-16-en-1,7,12,14-tetrayl-tetraacetat [German] [ACD/IUPAC Name]
(7β,14S)-15-Oxokaur-16-ene-1,7,12,14-tetrayl tetraacetate [ACD/IUPAC Name]
Tetraacétate de (7β,14S)-15-oxokaur-16-ène-1,7,12,14-tétrayle [French] [ACD/IUPAC Name]
Jiuhuanin B

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

NCI60_012415 [DBID]
NSC637461 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 573.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 241.1±30.2 °C
Index of Refraction: 1.533
Molar Refractivity: 130.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 526.75
ACD/KOC (pH 5.5): 3088.35
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 526.75
ACD/KOC (pH 7.4): 3088.35
Polar Surface Area: 122 Å2
Polarizability: 51.7±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 420.6±5.0 cm3

Click to predict properties on the Chemicalize site


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