Found 1 result

Search term: UERRVASYDCUNEJ-DHYZAJTQSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3R,3'R,6'R)-3,3'-Dihydroxy-8-oxo-4',5'-didehydro-5',6',7,8-tetrahydro-beta,beta-caroten-19-yl (2E)-2-dodecenoate | C52H76O5

(3R,3'R,6'R)-3,3'-Dihydroxy-8-oxo-4',5'-didehydro-5',6',7,8-tetrahydro-β,β-caroten-19-yl (2E)-2-dodecenoate

  • Molecular FormulaC52H76O5
  • Average mass781.157 Da
  • Monoisotopic mass780.569275 Da
  • ChemSpider ID17220941

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2E)-2-Dodécénoate de (3R,3'R,6'R)-3,3'-dihydroxy-8-oxo-4',5'-didéhydro-5',6',7,8-tétrahydro-β,β-carotén-19-yle [French] [ACD/IUPAC Name]
(3R,3'R,6'R)-3,3'-Dihydroxy-8-oxo-4',5'-didehydro-5',6',7,8-tetrahydro-β,β-caroten-19-yl (2E)-2-dodecenoate [ACD/IUPAC Name]
(3R,3'R,6'R)-3,3'-Dihydroxy-8-oxo-4',5'-didehydro-5',6',7,8-tetrahydro-β,β-carotin-19-yl-(2E)-2-dodecenoat [German] [ACD/IUPAC Name]
2-Dodecenoic acid, (3R,3'R,6R)-4,5-didehydro-5,6,7',8'-tetrahydro-3,3'-dihydroxy-8'-oxo-β,β-caroten-19'-yl ester, (2E)- [ACD/Index Name]
(3R,3'R,6'R)-19-(trans-Dodec-2-enoyloxy)-3,3'-dihydroxy-7,8-dihydro-β,ε-caroten-8-one
Siphonaxanthin dodecenoate
Siphonaxanthin ester
Siphonein

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

Density: 1.0±0.1 g/cm3
Boiling Point: 846.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 139.9±6.0 kJ/mol
Flash Point: 232.1±27.8 °C
Index of Refraction: 1.543
Molar Refractivity: 244.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 2
ACD/LogP: 15.56
ACD/LogD (pH 5.5): 14.11
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.11
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 84 Å2
Polarizability: 97.0±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 776.6±3.0 cm3

Click to predict properties on the Chemicalize site


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