ChemSpider 2D Image | Jaborosalactone 13 | C28H38O8

Jaborosalactone 13

  • Molecular FormulaC28H38O8
  • Average mass502.596 Da
  • Monoisotopic mass502.256653 Da
  • ChemSpider ID9050071

  • 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)-5,6,12,17,22-Pentahydroxy-23,26-epoxy-12,23-cycloergosta-2,24-dien-1,26-dion [German] [ACD/IUPAC Name]
(5α,6β,12α,17α,22R,23S)-5,6,12,17,22-Pentahydroxy-23,26-epoxy-12,23-cycloergosta-2,24-diene-1,26-dione [ACD/IUPAC Name]
(5α,6β,12α,17α,22R,23S)-5,6,12,17,22-Pentahydroxy-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-5,6,12,17,22-pentahydroxy-, (5α,6β,12α,17α,22R,23S)- [ACD/Index Name]
Jaborosalactone 13

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

Density: 1.4±0.1 g/cm3
Boiling Point: 723.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.7±6.0 kJ/mol
Flash Point: 240.3±26.4 °C
Index of Refraction: 1.648
Molar Refractivity: 128.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 2
ACD/LogP: 0.18
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 2.25
ACD/KOC (pH 5.5): 62.21
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 2.25
ACD/KOC (pH 7.4): 62.21
Polar Surface Area: 145 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 70.9±5.0 dyne/cm
Molar Volume: 352.8±5.0 cm3

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