ChemSpider 2D Image | Peridinin | C39H50O7

Peridinin

  • Molecular FormulaC39H50O7
  • Average mass630.810 Da
  • Monoisotopic mass630.355652 Da
  • ChemSpider ID4451174
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres


More details:



Featured data source



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

(1S,3R)-3-Hydroxy-4-{(3E,5E,7E,9E,11Z)-11-[4-{(E)-2-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]vinyl}-5-oxo-2(5H)-furanyliden]-3,10-dimethyl-1,3,5,7,9-undecapentaen-1-yliden}-3 ,5,5-trimethylcyclohexyl-acetat [German] [ACD/IUPAC Name]
(1S,3R)-3-Hydroxy-4-{(3E,5E,7E,9E,11Z)-11-[4-{(E)-2-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]vinyl}-5-oxo-2(5H)-furanylidene]-3,10-dimethyl-1,3,5,7,9-undecapentaen-1-ylidene} -3,5,5-trimethylcyclohexyl 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,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-o xabicyclo[4.1.0]hept-1-yl]ethenyl]-, (5Z)- [ACD/Index Name]
Acétate de (1S,3R)-3-hydroxy-4-{(3E,5E,7E,9E,11Z)-11-[4-{(E)-2-[(1S,4S,6R)-4-hydroxy-2,2,6-triméthyl-7-oxabicyclo[4.1.0]hept-1-yl]vinyl}-5-oxo-2(5H)-furanylidène]-3,10-diméthyl-1,3,5,7,9-undécapentaén -1-ylidène}-3,5,5-triméthylcyclohexyle [French] [ACD/IUPAC Name]
Peridinin
2(5H)-Furanone, 5-(11-(4-(acetyloxy)-2-hydroxy-2,6,6-trimethylcyclohexylidene)-2,9-dimethyl-2,4,6,8,10-undecapentaenylidene)-3-(2-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo(4.1.0)hept-1-yl)ethenyl)-, (1S-(1α(E(5Z(2E,4E,6E,8E,11(1S*,2S*,4R*)))),4α,6α))-
33281-81-1 [RN]

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

NSC679586 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 764.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.0±6.0 kJ/mol
Flash Point: 230.7±26.4 °C
Index of Refraction: 1.581
Molar Refractivity: 181.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.75
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10903.43
ACD/KOC (pH 5.5): 27019.47
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10903.43
ACD/KOC (pH 7.4): 27019.47
Polar Surface Area: 106 Å2
Polarizability: 71.8±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 543.5±5.0 cm3

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