ChemSpider 2D Image | (1alpha,3beta,5beta,7beta,8alpha,9beta,10alpha,11beta)-1,3-Dihydroxy-6,15-dioxokaur-16-ene-7,11-diyl diacetate | C24H32O8

(1α,3β,5β,7β,8α,9β,10α,11β)-1,3-Dihydroxy-6,15-dioxokaur-16-ene-7,11-diyl diacetate

  • Molecular FormulaC24H32O8
  • Average mass448.506 Da
  • Monoisotopic mass448.209717 Da
  • ChemSpider ID24714130

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1α,3β,5β,7β,8α,9β,10α,11β)-1,3-Dihydroxy-6,15-dioxokaur-16-en-7,11-diyl-diacetat [German] [ACD/IUPAC Name]
(1α,3β,5β,7β,8α,9β,10α,11β)-1,3-Dihydroxy-6,15-dioxokaur-16-ene-7,11-diyl diacetate [ACD/IUPAC Name]
Diacétate de (1α,3β,5β,7β,8α,9β,10α,11β)-1,3-dihydroxy-6,15-dioxokaur-16-ène-7,11-diyle [French] [ACD/IUPAC Name]
CALCICOLIN B
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL511941/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 594.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.7±6.0 kJ/mol
Flash Point: 199.0±23.6 °C
Index of Refraction: 1.565
Molar Refractivity: 111.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.90
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.32
ACD/KOC (pH 5.5): 158.64
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.32
ACD/KOC (pH 7.4): 158.64
Polar Surface Area: 127 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 342.0±5.0 cm3

Click to predict properties on the Chemicalize site


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