ChemSpider 2D Image | hydratoperidinin | C39H52O8

hydratoperidinin

  • Molecular FormulaC39H52O8
  • Average mass648.825 Da
  • Monoisotopic mass648.366211 Da
  • ChemSpider ID9774684

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1S,3R)-4-{(3E,5E,7E,9E,11Z)-3,10-Dimethyl-11-[5-oxo-4-{(E)-2-[(1S,2R,4S)-1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl]vinyl}-2(5H)-furanyliden]-1,3,5,7,9-undecapentaen-1-yliden}-3-hydroxy-3,5,5-trimeth ylcyclohexyl-acetat [German] [ACD/IUPAC Name]
(1S,3R)-4-{(3E,5E,7E,9E,11Z)-3,10-Dimethyl-11-[5-oxo-4-{(E)-2-[(1S,2R,4S)-1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl]vinyl}-2(5H)-furanylidene]-1,3,5,7,9-undecapentaen-1-ylidene}-3-hydroxy-3,5,5-trime thylcyclohexyl acetate [ACD/IUPAC Name]
2(5H)-Furanone, 5-[(2E,4E,6E,8E)-11-[(2R,4S)-4-(acetyloxy)-2-hydroxy-2,6,6-trimethylcyclohexylidene]-2,9-dimethyl-2,4,6,8,10-undecapentaen-1-ylidene]-3-[(E)-2-[(1S,2R,4S)-1,2,4-trihydroxy-2,6,6-trimet hylcyclohexyl]ethenyl]-, (5Z)- [ACD/Index Name]
Acétate de (1S,3R)-4-{(3E,5E,7E,9E,11Z)-3,10-diméthyl-11-[5-oxo-4-{(E)-2-[(1S,2R,4S)-1,2,4-trihydroxy-2,6,6-triméthylcyclohexyl]vinyl}-2(5H)-furanylidène]-1,3,5,7,9-undécapentaén-1-ylidène}-3-hydroxy- 3,5,5-triméthylcyclohexyle [French] [ACD/IUPAC Name]
hydratoperidinin
(3S,5R,6S,3'S,5R,6'R)-3'-ethanoyloxy-6',7'-didehydro-3,5,6,5'-tetrahydroxy--12',13',20'-trinor-β,β-caroten-19,11-olide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 775.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.7±6.0 kJ/mol
Flash Point: 231.9±26.4 °C
Index of Refraction: 1.585
Molar Refractivity: 184.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 5.16
ACD/BCF (pH 5.5): 4892.29
ACD/KOC (pH 5.5): 15224.58
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 4892.28
ACD/KOC (pH 7.4): 15224.54
Polar Surface Area: 134 Å2
Polarizability: 73.2±0.5 10-24cm3
Surface Tension: 47.2±5.0 dyne/cm
Molar Volume: 550.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement