ChemSpider 2D Image | monoanhydrobacterioruberin | C50H74O3

monoanhydrobacterioruberin

  • Molecular FormulaC50H74O3
  • Average mass723.121 Da
  • Monoisotopic mass722.563782 Da
  • ChemSpider ID9160638

  • 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)-30-(2-Hydroxy-2-propanyl)-2,6,10,14,19,23,27,33-octamethyl-3-(3-methyl-2-buten-1-yl)-4,6,8,10,12,14,16,18,20,22,24,26,28-tetratriacontatrideca en-2,33-diol [German] [ACD/IUPAC Name]
(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30S)-30-(2-Hydroxy-2-propanyl)-2,6,10,14,19,23,27,33-octamethyl-3-(3-methyl-2-buten-1-yl)-4,6,8,10,12,14,16,18,20,22,24,26,28-tetratriacontatrideca ene-2,33-diol [ACD/IUPAC Name]
(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30S)-30-(2-Hydroxy-2-propanyl)-2,6,10,14,19,23,27,33-octaméthyl-3-(3-méthyl-2-butén-1-yl)-4,6,8,10,12,14,16,18,20,22,24,26,28-tétratriacontatridéca ène-2,33-diol [French] [ACD/IUPAC Name]
monoanhydrobacterioruberin
(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30S)-30-(2-hydroxypropan-2-yl)-2,6,10,14,19,23,27,33-octamethyl-3-(3-methylbut-2-en-1-yl)tetratriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene-2,33-diol
  • 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:87122
      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:87122
      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:87122

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

Density: 1.0±0.1 g/cm3
Boiling Point: 837.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.5±6.0 kJ/mol
Flash Point: 293.8±28.9 °C
Index of Refraction: 1.541
Molar Refractivity: 237.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 2
ACD/LogP: 13.18
ACD/LogD (pH 5.5): 11.84
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.84
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 61 Å2
Polarizability: 94.3±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 756.5±3.0 cm3

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