Found 25 results

Search term: MF = 'C_{40}H_{54}O_{5}'
ChemSpider 2D Image | (3R,3'S,5'R,6R,6'S)-3,3'-Dihydroxy-4,5-didehydro-5,5',6,6',7,8-hexahydro-5',6':11,19-diepoxy-beta,beta-caroten-19-one | C40H54O5

(3R,3'S,5'R,6R,6'S)-3,3'-Dihydroxy-4,5-didehydro-5,5',6,6',7,8-hexahydro-5',6':11,19-diepoxy-β,β-caroten-19-one

  • Molecular FormulaC40H54O5
  • Average mass614.854 Da
  • Monoisotopic mass614.397095 Da
  • ChemSpider ID17220967

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3R,3'S,5'R,6R,6'S)-3,3'-Dihydroxy-4,5-didehydro-5,5',6,6',7,8-hexahydro-5',6':11,19-diepoxy-β,β-caroten-19-one [ACD/IUPAC Name]
(3R,3'S,5'R,6R,6'S)-3,3'-Dihydroxy-4,5-didéhydro-5,5',6,6',7,8-hexahydro-5',6':11,19-diépoxy-β,β-carotén-19-one [French] [ACD/IUPAC Name]
(3R,3'S,5'R,6R,6'S)-3,3'-Dihydroxy-4,5-didehydro-5,5',6,6',7,8-hexahydro-5',6':11,19-diepoxy-β,β-carotin-19-on [German] [ACD/IUPAC Name]
β,β-Caroten-19-one, 4,5-didehydro-5',6':11,19-diepoxy-5,5',6,6',7,8-hexahydro-3,3'-dihydroxy-, (3R,3'S,5'R,6R,6'S)- [ACD/Index Name]
Uriolide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 754.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 125.4±6.0 kJ/mol
Flash Point: 225.8±26.4 °C
Index of Refraction: 1.601
Molar Refractivity: 188.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.16
ACD/LogD (pH 5.5): 7.53
ACD/BCF (pH 5.5): 313535.59
ACD/KOC (pH 5.5): 299099.56
ACD/LogD (pH 7.4): 7.53
ACD/BCF (pH 7.4): 313535.59
ACD/KOC (pH 7.4): 299099.56
Polar Surface Area: 79 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 549.0±3.0 cm3

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