ChemSpider 2D Image | 3'-HYDROXY HT-2 TOXIN 3-ACETATE | C24H34O10

3'-HYDROXY HT-2 TOXIN 3-ACETATE

  • Molecular FormulaC24H34O10
  • Average mass482.521 Da
  • Monoisotopic mass482.215210 Da
  • ChemSpider ID58828280

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3α,4β,8α)-3,15-Diacetoxy-4-hydroxy-12,13-epoxytrichothec-9-en-8-yl 3-hydroxy-3-methylbutanoate [ACD/IUPAC Name]
(3α,4β,8α)-3,15-Diacetoxy-4-hydroxy-12,13-epoxytrichothec-9-en-8-yl-3-hydroxy-3-methylbutanoat [German] [ACD/IUPAC Name]
100762-36-5 [RN]
3'-HYDROXY HT-2 TOXIN 3-ACETATE
3-Hydroxy-3-méthylbutanoate de (3α,4β,8α)-3,15-diacétoxy-4-hydroxy-12,13-époxytrichothec-9-én-8-yle [French] [ACD/IUPAC Name]
Butanoic acid, 3-hydroxy-3-methyl-, (3α,4β,8α)-3,15-bis(acetyloxy)-12,13-epoxy-4-hydroxytrichothec-9-en-8-yl ester [ACD/Index Name]

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

X1TCS0QD64 [DBID]
UNII:X1TCS0QD64 [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: 600.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.5±6.0 kJ/mol
Flash Point: 197.9±25.0 °C
Index of Refraction: 1.561
Molar Refractivity: 116.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.47
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.62
ACD/KOC (pH 5.5): 87.40
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.62
ACD/KOC (pH 7.4): 87.40
Polar Surface Area: 141 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 55.5±5.0 dyne/cm
Molar Volume: 360.4±5.0 cm3

Click to predict properties on the Chemicalize site


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