ChemSpider 2D Image | bacterioruberin | C50H76O4

bacterioruberin

  • Molecular FormulaC50H76O4
  • Average mass741.136 Da
  • Monoisotopic mass740.574341 Da
  • ChemSpider ID4945706

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,2'S)-2,2'-Bis(3-hydroxy-3-methylbutyl)-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-y,y-carotene-1,1'-diol
(5S,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30E,32S)-5,32-Bis(2-hydroxy-2-propanyl)-2,8,12,16,21,25,29,35-octamethyl-6,8,10,12,14,16,18,20,22,24,26,28,30-hexatriacontatridecaen-2,35-diol (non-pr eferred name) [German] [ACD/IUPAC Name]
(5S,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30E,32S)-5,32-Bis(2-hydroxy-2-propanyl)-2,8,12,16,21,25,29,35-octamethyl-6,8,10,12,14,16,18,20,22,24,26,28,30-hexatriacontatridecaene-2,35-diol (non-p referred name) [ACD/IUPAC Name]
(5S,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30E,32S)-5,32-Bis(2-hydroxy-2-propanyl)-2,8,12,16,21,25,29,35-octaméthyl-6,8,10,12,14,16,18,20,22,24,26,28,30-hexatriacontatridécaène-2,35-diol (non-p referred name) [French] [ACD/IUPAC Name]
bacterioruberin
ψ,ψ-Carotene, 3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-1,1'-dihydroxy-2,2'-bis(3-hydroxy-3-methylbutyl)-, (2S,2'S)-
(2S,2'S)-2,2'-bis(3-hydroxy-3-methylbutyl)-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-γ,γ-carotene-1,1'-diol
(2S,2'S)-2,2'-Bis-(3-hydroxy-3-methylbutyl)-3,4,3',4'-tetrahydro-1,2,1',2'-tetrahydro-ψ,ψ-carotene-1,1'-diol
(5S,,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30E,32S)-5,32-bis(2-hydroxypropan-2-yl)-2,8,12,16,21,25,29,35-octamethylhexatriaconta-6,8,10,12,14,16,18,20,22,24,26,28,30-tridecaene-2,35-diol
(5S,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30E,32S)-5,32-BIS(2-HYDROXYPROPAN-2-YL)-2,8,12,16,21,25,29,35-OCTAMETHYLHEXATRIACONTA-6,8,10,12,14,16,18,20,22,24,26,28,30-TRIDECAENE-2,35-DIOL
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 859.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.9±6.0 kJ/mol
Flash Point: 301.0±28.9 °C
Index of Refraction: 1.542
Molar Refractivity: 239.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 11.38
ACD/LogD (pH 5.5): 10.57
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.57
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 81 Å2
Polarizability: 94.9±0.5 10-24cm3
Surface Tension: 36.9±3.0 dyne/cm
Molar Volume: 760.6±3.0 cm3

Click to predict properties on the Chemicalize site


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