ChemSpider 2D Image | bisanhydrobacterioruberin | C50H72O2

bisanhydrobacterioruberin

  • Molecular FormulaC50H72O2
  • Average mass705.106 Da
  • Monoisotopic mass704.553223 Da
  • ChemSpider ID9105780

  • 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

(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30S)-2,6,10,14,19,23,27,31-Octamethyl-3,30-bis(3-methyl-2-buten-1-yl)-4,6,8,10,12,14,16,18,20,22,24,26,28-dotriacontatridecaen-2,31-diol (non-prefe rred name) [German] [ACD/IUPAC Name]
(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30S)-2,6,10,14,19,23,27,31-Octamethyl-3,30-bis(3-methyl-2-buten-1-yl)-4,6,8,10,12,14,16,18,20,22,24,26,28-dotriacontatridecaene-2,31-diol (non-pref erred name) [ACD/IUPAC Name]
(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30S)-2,6,10,14,19,23,27,31-Octaméthyl-3,30-bis(3-méthyl-2-butén-1-yl)-4,6,8,10,12,14,16,18,20,22,24,26,28-dotriacontatridécaène-2,31-diol (non-pref erred name) [French] [ACD/IUPAC Name]
bisanhydrobacterioruberin
(2S,2'S)-2,2'-Bis-(3-methylbut-2-enyl)-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-ψ,ψ-carotene-1,1'-diol
(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30S)-2,6,10,14,19,23,27,31-octamethyl-3,30-bis(3-methylbut-2-en-1-yl)dotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene-2,31-diol
30403-59-9 [RN]
  • Miscellaneous

    • Chemical Class:

      A C<smallsub>50</smallsub> carotenoid that is an intermediate in the biosynthesis of bacterioruberin, a red-coloured pigment found in several <ital>Halobacterium</ital> and <ital>Haloarcula</ital> spe cies. ChEBI CHEBI:87121
      A C50 carotenoid that is an intermediate in the biosynthesis of bacterioruberin, a red-coloured pigment found in several Halobacterium and Haloarcula spe; cies. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:87121
      A C50 carotenoid that is an intermediate in the biosynthesis of bacterioruberin, a red-coloured pigment found in several Halobacterium and Haloarcula species. ChEBI CHEBI:87121

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

Density: 0.9±0.1 g/cm3
Boiling Point: 809.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 134.0±6.0 kJ/mol
Flash Point: 283.7±27.5 °C
Index of Refraction: 1.540
Molar Refractivity: 236.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 14.98
ACD/LogD (pH 5.5): 13.13
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.13
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 40 Å2
Polarizability: 93.6±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 752.4±3.0 cm3

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