ChemSpider 2D Image | Antheraxanthin | C40H56O3


  • Molecular FormulaC40H56O3
  • Average mass584.871 Da
  • Monoisotopic mass584.422974 Da
  • ChemSpider ID4444635
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R,3'S,5'R,6'S)-5',6'-Dihydro-5',6'-epoxy-β,β-carotene-3,3'-diol [ACD/IUPAC Name]
(3R,3'S,5'R,6'S)-5',6'-Dihydro-5',6'-époxy-β,β-carotène-3,3'-diol [French] [ACD/IUPAC Name]
(3R,3'S,5'R,6'S)-5',6'-Dihydro-5',6'-epoxy-β,β-carotin-3,3'-diol [German] [ACD/IUPAC Name]
640-03-9 [RN]
Antheraxanthin [Wiki]
β,β-Carotene-3,3'-diol, 5,6-epoxy-5,6-dihydro-, (3S,3'R,5R,6S)- [ACD/Index Name]

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

0306J2L3DV [DBID]
C08579 [DBID]
DivK1c_006594 [DBID]
KBio1_001538 [DBID]
KBio2_001968 [DBID]
KBio2_004536 [DBID]
KBio2_007104 [DBID]
KBio3_003007 [DBID]
KBioGR_001986 [DBID]
KBioSS_001968 [DBID]
  • Miscellaneous
    • Chemical Class:

      An epoxycarotenol that is <greek>beta</greek>-carotene-3,3'-diol in which one of the one of the endocyclic double bonds has been oxidised to the corresponding epoxide. It is a neutral yellow plant pi gment found in <ital>Euglenophyta</ital>. ChEBI CHEBI:27867
      lipid Microsource [01503674]
    • Drug Status:

      undetermined activity Microsource [01503674]
    • Compound Source:

      Euonymus europaeus Microsource [01503674]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 708.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.4±6.0 kJ/mol
Flash Point: 382.4±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 189.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 10.29
ACD/LogD (pH 5.5): 9.49
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3471310.75
ACD/LogD (pH 7.4): 9.49
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3471310.75
Polar Surface Area: 53 Å2
Polarizability: 74.9±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 554.1±3.0 cm3

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