ChemSpider 2D Image | Jaborosalactone 14 | C29H40O8

Jaborosalactone 14

  • Molecular FormulaC29H40O8
  • Average mass516.623 Da
  • Monoisotopic mass516.272339 Da
  • ChemSpider ID9213761

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(5α,6β,12α,17α,22R,23S)-6,12,17,22-Tetrahydroxy-5-methoxy-23,26-epoxy-12,23-cycloergosta-2,24-dien-1,26-dion [German] [ACD/IUPAC Name]
(5α,6β,12α,17α,22R,23S)-6,12,17,22-Tetrahydroxy-5-methoxy-23,26-epoxy-12,23-cycloergosta-2,24-diene-1,26-dione [ACD/IUPAC Name]
(5α,6β,12α,17α,22R,23S)-6,12,17,22-Tétrahydroxy-5-méthoxy-23,26-époxy-12,23-cycloergosta-2,24-diène-1,26-dione [French] [ACD/IUPAC Name]
12,23-Cycloergosta-2,24-diene-1,26-dione, 23,26-epoxy-6,12,17,22-tetrahydroxy-5-methoxy-, (5α,6β,12α,17α,22R,23S)- [ACD/Index Name]
Jaborosalactone 14
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL515984/
jaborosalactone 12

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

Density: 1.4±0.1 g/cm3
Boiling Point: 716.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.7±6.0 kJ/mol
Flash Point: 235.3±26.4 °C
Index of Refraction: 1.623
Molar Refractivity: 133.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 0.57
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.28
ACD/KOC (pH 5.5): 98.46
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.28
ACD/KOC (pH 7.4): 98.46
Polar Surface Area: 134 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 63.8±5.0 dyne/cm
Molar Volume: 377.6±5.0 cm3

Click to predict properties on the Chemicalize site


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