ChemSpider 2D Image | Cryptoflavin | C40H56O2

Cryptoflavin

  • Molecular FormulaC40H56O2
  • Average mass568.871 Da
  • Monoisotopic mass568.428040 Da
  • ChemSpider ID4525635

  • Double-bond stereo - Double-bond stereo

More details:

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

(9'cis)-5',8'-Dihydro-5',8'-epoxy-β,β-caroten-3-ol [ACD/IUPAC Name]
(9'cis)-5',8'-Dihydro-5',8'-époxy-β,β-carotén-3-ol [French] [ACD/IUPAC Name]
(9'cis)-5',8'-Dihydro-5',8'-epoxy-β,β-carotin-3-ol [German] [ACD/IUPAC Name]
30311-63-8 [RN]
4-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-(4,4,7a-Trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-yl)-3,7,12-trimethyl-1,3,5,7,9,11,13,15-heptadecaoctaenyl]-3,5,5-trimethyl-3-cyclohexen-1-ol
Cryptoflavin
β,β-Caroten-3-ol, 5',8'-epoxy-5',8'-dihydro-, (9'cis)- [ACD/Index Name]
4-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-(4,4,7a-trimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-yl)-3,7,12-trimethylheptadeca-1,3,5,7,9,11,13,15-octaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol
4-[(1E,3E,5E,7E,9E,11E,13E,15E)-16-(4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-3,7,12-trimethylheptadeca-1,3,5,7,9,11,13,15-octaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-ol
5,8-Epoxy-5,8-dihydro-b,b-caroten-3-ol
More...

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

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

Density: 1.0±0.1 g/cm3
Boiling Point: 684.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.9±6.0 kJ/mol
Flash Point: 291.5±25.7 °C
Index of Refraction: 1.561
Molar Refractivity: 181.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 11.85
ACD/LogD (pH 5.5): 10.97
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.97
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 29 Å2
Polarizability: 72.1±0.5 10-24cm3
Surface Tension: 40.4±5.0 dyne/cm
Molar Volume: 561.8±5.0 cm3

Click to predict properties on the Chemicalize site


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