ChemSpider 2D Image | 1-O-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-Hexamethyl-2,4,6,8,10,12,14,16,18,22-tetracosadecaenoyl]-6-O-(12-methyltetradecanoyl)-beta-D-glucopyranose | C51H78O8

1-O-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-Hexamethyl-2,4,6,8,10,12,14,16,18,22-tetracosadecaenoyl]-6-O-(12-methyltetradecanoyl)-β-D-glucopyranose

  • Molecular FormulaC51H78O8
  • Average mass819.160 Da
  • Monoisotopic mass818.569641 Da
  • ChemSpider ID28533716

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

1-O-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-Hexamethyl-2,4,6,8,10,12,14,16,18,22-tetracosadecaenoyl]-6-O-(12-methyltetradecanoyl)-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-Hexamethyl-2,4,6,8,10,12,14,16,18,22-tetracosadecaenoyl]-6-O-(12-methyltetradecanoyl)-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-Hexaméthyl-2,4,6,8,10,12,14,16,18,22-tetracosadecaenoyl]-6-O-(12-méthyltetradecanoyl)-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 1-O-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyl-1-oxo-2,4,6,8,10,12,14,16,18,22-tetracosadecaen-1-yl]-6-O-(12-methyl-1-oxotetradecyl)- [ACD/Index Name]
&β;-D-glucopyranosyl 1-<i>O&lt;/i>-(4,4'-diaponeurosporen-4-oate)-6-<i>O</i>-(12-methyltetradecanoate)
1-O-[(2E,4E,6E,8E,10E,12E,14E,16E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoyl]-6-O-(12-methyltetradecanoyl)-β-D-glucopyranose
2,6,10,15,19,23-hexamethyltetracosa-2E,4E,6E,8E,10E,12E,14E,16E,18E,22-decaenoyl]-6-O-(12-methyltetradecanoyl)-β-D-glucopyranose
71869-01-7 [RN]
8'-Apo-ψ,ψ-carotenoic acid, 6-O-(12-methyl-1-oxotetradecyl)-α-D-glucopyranosyl ester
Staphyloxanthin
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  • Miscellaneous

    • Chemical Class:

      A xanthophyll that is <stereo>beta</stereo>-<stereo>D</stereo>-glucopyranose in which the hydroxy groups at positions 1 and 6 have been acylated by an <stereo>all-trans</stereo>-2,6,10,15,19,23-hexame thyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoyl group and a 12-methyltetradecanoyl group, respectively. Staphyloxanthin is responsible for the characteristic yellow-golden colour which gives the bac terium <ital>Staphylococcus aureus</ital> its name. ChEBI CHEBI:71690
      A xanthophyll that is beta-D-glucopyranose in which the hydroxy groups at positions 1 and 6 have been acylated by an all-trans-2,6,10,15,19,23-hexame; thyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoyl group and a 12-methyltetradecanoyl group, respectively. Staphyloxanthin is responsible for the characteristic yellow-golden colour which gives the bacterium Staphylococcus aureus its name. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:71690
      A xanthophyll that is beta-D-glucopyranose in which the hydroxy groups at positions 1 and 6 have been acylated by an all-trans-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaenoyl g roup and a 12-methyltetradecanoyl group, respectively. Staphyloxanthin is responsible for the characteristic yellow-golden colour which gives the bacterium Staphylococcus aureus its name. ChEBI CHEBI:71690

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

Density: 1.1±0.1 g/cm3
Boiling Point: 867.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.2±6.0 kJ/mol
Flash Point: 236.7±27.8 °C
Index of Refraction: 1.541
Molar Refractivity: 243.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 2
ACD/LogP: 16.96
ACD/LogD (pH 5.5): 13.60
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 13.60
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 123 Å2
Polarizability: 96.7±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 776.2±5.0 cm3

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