ChemSpider 2D Image | Staphyloxanthin | C51H78O8

Staphyloxanthin

  • Molecular FormulaC51H78O8
  • Average mass819.160 Da
  • Monoisotopic mass818.569641 Da
  • ChemSpider ID65323059

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 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-[(12S)-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-[(12S)-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-[(12S)-12-méthyltetradecanoyl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
Staphyloxanthin
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-[(12S)-12-methyl-1-oxotetradecyl]- [ACD/Index Name]

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

Click to predict properties on the Chemicalize site


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