ChemSpider 2D Image | 15-Deacetylcalonectrin | C17H24O5

15-Deacetylcalonectrin

  • Molecular FormulaC17H24O5
  • Average mass308.370 Da
  • Monoisotopic mass308.162384 Da
  • ChemSpider ID25057665

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3β)-15-Hydroxy-12,13-epoxytrichothec-9-en-3-yl acetate [ACD/IUPAC Name]
(3β)-15-Hydroxy-12,13-epoxytrichothec-9-en-3-yl-acetat [German] [ACD/IUPAC Name]
15-Deacetylcalonectrin
38818-66-5 [RN]
Acétate de (3β)-15-hydroxy-12,13-époxytrichothec-9-én-3-yle [French] [ACD/IUPAC Name]
Trichothec-9-ene-3,15-diol, 12,13-epoxy-, 3-acetate, (2α,3α,6β,11β,12α)- [ACD/Index Name]
FP0
Trichothec-9-ene-3,15-diol, 12,13-epoxy-, 3-acetate, (3α)-

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

95N97KTI8K [DBID]
UNII:95N97KTI8K [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 413.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.0±6.0 kJ/mol
Flash Point: 146.2±22.2 °C
Index of Refraction: 1.566
Molar Refractivity: 79.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 6.70
ACD/KOC (pH 5.5): 135.81
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 6.70
ACD/KOC (pH 7.4): 135.81
Polar Surface Area: 68 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 242.6±5.0 cm3

Click to predict properties on the Chemicalize site


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