ChemSpider 2D Image | rac-Astaxanthin | C40H52O4

rac-Astaxanthin

  • Molecular FormulaC40H52O4
  • Average mass596.839 Da
  • Monoisotopic mass596.386536 Da
  • ChemSpider ID4519704
  • Double-bond stereo - Double-bond stereo


More details:






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

rac-Astaxanthin
3,3'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaen-1,18-diyl]bis(6-hydroxy-2,4,4-trimethyl-2-cyclohexen-1-on)
3,3'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl]bis(6-hydroxy-2,4,4-trimethyl-2-cyclohexen-1-one)
3,3'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-Tétraméthyl-1,3,5,7,9,11,13,15,17-octadécanonaène-1,18-diyl]bis(6-hydroxy-2,4,4-triméthyl-2-cyclohexén-1-one)
3,3'-Dihydroxy-4,4'-diketo-b-carotene
3,3'-Dihydroxy-b,b-carotene-4,4'-dione
3,3'-Dihydroxy-β,β-carotene-4,4'-dione [ACD/IUPAC Name]
3,3'-Dihydroxy-β,β-carotene-4,4'-dione
3,3'-Dihydroxy-β,β-carotène-4,4'-dione [French] [ACD/IUPAC Name]
3,3'-Dihydroxy-β,β-carotin-4,4'-dion [German] [ACD/IUPAC Name]
More...

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

472-61-7,7542-45-2 [DBID]
8678E0R020 [DBID]
A9335_SIGMA [DBID]
C08580 [DBID]
CCRIS 7118 [DBID]
NSC 635689 [DBID]
NSC635689 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 774.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.4±6.0 kJ/mol
Flash Point: 435.8±29.4 °C
Index of Refraction: 1.595
Molar Refractivity: 189.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.16
ACD/LogD (pH 5.5): 7.22
ACD/BCF (pH 5.5): 179657.19
ACD/KOC (pH 5.5): 200774.09
ACD/LogD (pH 7.4): 7.22
ACD/BCF (pH 7.4): 179655.02
ACD/KOC (pH 7.4): 200771.67
Polar Surface Area: 75 Å2
Polarizability: 75.1±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 557.1±3.0 cm3

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