ChemSpider 2D Image | Trichoverrin B | C29H40O9

Trichoverrin B

  • Molecular FormulaC29H40O9
  • Average mass532.622 Da
  • Monoisotopic mass532.267212 Da
  • ChemSpider ID4944809

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2Z,4E,6S,7R)-6,7-Dihydroxy-2,4-octadiénoate de (4α)-15-{[(2E)-5-hydroxy-3-méthyl-2-pentenoyl]oxy}-12,13-époxytrichothec-9-én-4-yle [French] [ACD/IUPAC Name]
(4α)-15-{[(2E)-5-Hydroxy-3-methyl-2-pentenoyl]oxy}-12,13-epoxytrichothec-9-en-4-yl (2Z,4E,6S,7R)-6,7-dihydroxy-2,4-octadienoate [ACD/IUPAC Name]
(4α)-15-{[(2E)-5-Hydroxy-3-methyl-2-pentenoyl]oxy}-12,13-epoxytrichothec-9-en-4-yl-(2Z,4E,6S,7R)-6,7-dihydroxy-2,4-octadienoat [German] [ACD/IUPAC Name]
2,4-Octadienoic acid, 6,7-dihydroxy-, (2α,4β,6β,11β,12α)-12,13-epoxy-15-[[(2E)-5-hydroxy-3-methyl-1-oxo-2-penten-1-yl]oxy]trichothec-9-en-4-yl ester, (2Z,4E,6S,7R)- [ACD/Index Name]
76685-82-0 [RN]
Trichoverrin B
Trichothec-9-ene-4,15-diol, 12,13-epoxy-, 4-((2Z,4E,6S,7R)-6,7-dihydroxy-2,4-octadienoate) 15-((2E)-5-hydroxy-3-methyl-2-pentenoate), (4β)-

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

X8Z0864KZ5 [DBID]
UNII:X8Z0864KZ5 [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: 690.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.7±6.0 kJ/mol
Flash Point: 221.9±25.0 °C
Index of Refraction: 1.585
Molar Refractivity: 139.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.48
ACD/KOC (pH 5.5): 280.75
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.48
ACD/KOC (pH 7.4): 280.75
Polar Surface Area: 135 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 56.8±5.0 dyne/cm
Molar Volume: 414.7±5.0 cm3

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