ChemSpider 2D Image | 7,8-Dihydroxycalonectrin | C19H26O8

7,8-Dihydroxycalonectrin

  • Molecular FormulaC19H26O8
  • Average mass382.405 Da
  • Monoisotopic mass382.162781 Da
  • ChemSpider ID52085288

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3α,7α,8α)-7,8-Dihydroxy-12,13-epoxytrichothec-9-en-3,15-diyl-diacetat [German] [ACD/IUPAC Name]
(3α,7α,8α)-7,8-Dihydroxy-12,13-epoxytrichothec-9-ene-3,15-diyl diacetate [ACD/IUPAC Name]
7,8-Dihydroxycalonectrin
95673-99-7 [RN]
Diacétate de (3α,7α,8α)-7,8-dihydroxy-12,13-époxytrichothec-9-ène-3,15-diyle [French] [ACD/IUPAC Name]
Trichothec-9-ene-3,7,8,15-tetrol, 12,13-epoxy-, 3,15-diacetate, (3α,7α,8α)- [ACD/Index Name]

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

AX442PL270 [DBID]
UNII:AX442PL270 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 500.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.6±6.0 kJ/mol
Flash Point: 173.8±23.6 °C
Index of Refraction: 1.578
Molar Refractivity: 91.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.40
ACD/KOC (pH 5.5): 44.33
ACD/LogD (pH 7.4): 0.50
ACD/BCF (pH 7.4): 1.40
ACD/KOC (pH 7.4): 44.33
Polar Surface Area: 115 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 276.5±5.0 cm3

Click to predict properties on the Chemicalize site


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