ChemSpider 2D Image | (5beta,7alpha,8alpha,9beta,10alpha,12alpha,13alpha,14R)-7,12,14-Trihydroxy-15-oxokaur-16-en-19-al | C20H28O5

(5β,7α,8α,9β,10α,12α,13α,14R)-7,12,14-Trihydroxy-15-oxokaur-16-en-19-al

  • Molecular FormulaC20H28O5
  • Average mass348.433 Da
  • Monoisotopic mass348.193665 Da
  • ChemSpider ID24692074

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(5β,7α,8α,9β,10α,12α,13α,14R)-7,12,14-Trihydroxy-15-oxokaur-16-en-19-al [German] [ACD/IUPAC Name]
(5β,7α,8α,9β,10α,12α,13α,14R)-7,12,14-Trihydroxy-15-oxokaur-16-en-19-al [ACD/IUPAC Name]
(5β,7α,8α,9β,10α,12α,13α,14R)-7,12,14-Trihydroxy-15-oxokaur-16-én-19-al [French] [ACD/IUPAC Name]
91379-75-8 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL463149/
Macrocalyxin C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 555.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.2±6.0 kJ/mol
Flash Point: 303.8±26.6 °C
Index of Refraction: 1.593
Molar Refractivity: 91.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.20
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.23
ACD/KOC (pH 5.5): 80.61
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.23
ACD/KOC (pH 7.4): 80.61
Polar Surface Area: 95 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 57.8±5.0 dyne/cm
Molar Volume: 268.5±5.0 cm3

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