Found 1 result

Search term: RRFDBXIHLUIYPE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3S,3'S,4S,4'S)-7,7',8,8'-Tetradehydro-beta,beta-carotene-3,3',4,4'-tetrol | C40H52O4

(3S,3'S,4S,4'S)-7,7',8,8'-Tetradehydro-β,β-carotene-3,3',4,4'-tetrol

  • Molecular FormulaC40H52O4
  • Average mass596.839 Da
  • Monoisotopic mass596.386536 Da
  • ChemSpider ID24823148

  • 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

(3S,3'S,4S,4'S)-7,7',8,8'-Tetradehydro-β,β-carotene-3,3',4,4'-tetrol [ACD/IUPAC Name]
(3S,3'S,4S,4'S)-7,7',8,8'-Tétradéhydro-β,β-carotène-3,3',4,4'-tétrol [French] [ACD/IUPAC Name]
(3S,3'S,4S,4'S)-7,7',8,8'-Tetradehydro-β,β-carotin-3,3',4,4'-tetrol [German] [ACD/IUPAC Name]
β,β-Carotene-3,3',4,4'-tetrol, 7,7',8,8'-tetradehydro-, (3S,3'S,4S,4'S)- [ACD/Index Name]
4,4'-Dihydroxyalloxanthin

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

Density: 1.1±0.1 g/cm3
Boiling Point: 738.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.0±6.0 kJ/mol
Flash Point: 285.3±27.5 °C
Index of Refraction: 1.591
Molar Refractivity: 182.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 10.50
ACD/LogD (pH 5.5): 8.75
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1377607.00
ACD/LogD (pH 7.4): 8.75
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1377605.50
Polar Surface Area: 81 Å2
Polarizability: 72.4±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 540.1±5.0 cm3

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