ChemSpider 2D Image | (4,4,4',4',18,18,18,18',18',18'-~2~H_10_)-beta,beta-Carotene | C40H46D10

(4,4,4',4',18,18,18,18',18',18'-2H10)-β,β-Carotene

  • Molecular FormulaC40H46D10
  • Average mass546.934 Da
  • Monoisotopic mass546.500977 Da
  • ChemSpider ID28562516
  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope


More details:






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

(4,4,4',4',18,18,18,18',18',18'-2H10)-β,β-Carotene [ACD/IUPAC Name]
(4,4,4',4',18,18,18,18',18',18'-2H10)-β,β-Carotène [French] [ACD/IUPAC Name]
(4,4,4',4',18,18,18,18',18',18'-2H10)-β,β-Carotin [German] [ACD/IUPAC Name]
β,β-Carotene-4,4,4',4',18,18,18,18',18',18'-d10 [ACD/Index Name]
&β;-CAROTENE-D10
1331639-85-0 [RN]
3,3-dideuterio-1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[3,3-dideuterio-6,6-dimethyl-2-(trideuteriomethyl)cyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-6,6-dimethyl-2-(trideuteriomethyl)cyclohexene

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

Density: 0.9±0.1 g/cm3
Boiling Point: 654.7±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 92.9±0.8 kJ/mol
Flash Point: 346.0±17.2 °C
Index of Refraction: 1.566
Molar Refractivity: 185.9±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 15.51
ACD/LogD (pH 5.5): 13.64
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.64
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 0 Å2
Polarizability: 73.7±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 570.1±3.0 cm3

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