ChemSpider 2D Image | Violaxanthin | C40H56O4

Violaxanthin

  • Molecular FormulaC40H56O4
  • Average mass600.870 Da
  • Monoisotopic mass600.417847 Da
  • ChemSpider ID395237
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres


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

(3S,3'S,5R,5'R,6S,6'S)-5,5',6,6'-Tetrahydro-5,6:5',6'-diepoxy-β,β-carotene-3,3'-diol [ACD/IUPAC Name]
(3S,3'S,5R,5'R,6S,6'S)-5,5',6,6'-Tétrahydro-5,6:5',6'-diépoxy-β,β-carotène-3,3'-diol [French] [ACD/IUPAC Name]
(3S,3'S,5R,5'R,6S,6'S)-5,5',6,6'-Tetrahydro-5,6:5',6'-diepoxy-β,β-carotin-3,3'-diol [German] [ACD/IUPAC Name]
126-29-4 [RN]
5,6:5',6'-Diepoxy-5,5',6,6'-tetrahydro-b,b-carotene-3,3'-diol
Violaxanthin [Wiki]
Zeaxanthin diepoxide
β,β-Carotene-3,3'-diol, 5,6:5',6'-diepoxy-5,5',6,6'-tetrahydro-, (3S,3'S,5R,5'R,6S,6'S)- [ACD/Index Name]
(1S,4S,6R)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-4-ol(1S,4S,6R)-1-[18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-4-ol
(1S,4S,6R)-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-4-ol126-29-4
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C08614 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 705.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.0±6.0 kJ/mol
Flash Point: 380.7±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 188.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.74
ACD/LogD (pH 5.5): 8.04
ACD/BCF (pH 5.5): 761671.56
ACD/KOC (pH 5.5): 564597.63
ACD/LogD (pH 7.4): 8.04
ACD/BCF (pH 7.4): 761671.56
ACD/KOC (pH 7.4): 564597.63
Polar Surface Area: 66 Å2
Polarizability: 74.9±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 544.2±3.0 cm3

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