ChemSpider 2D Image | 1-O-{(2E,4E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-Hexamethyl-6-[(3Z)-12-methyl-1-oxo-3-tetradecen-2-yl]-2,4,8,10,12,14,16,18,22-tetracosanonaenoyl}-alpha-D-glucopyranose | C51H78O8

1-O-{(2E,4E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-Hexamethyl-6-[(3Z)-12-methyl-1-oxo-3-tetradecen-2-yl]-2,4,8,10,12,14,16,18,22-tetracosanonaenoyl}-α-D-glucopyranose

  • Molecular FormulaC51H78O8
  • Average mass819.160 Da
  • Monoisotopic mass818.569641 Da
  • ChemSpider ID4947803
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 8 defined stereocentres


More details:






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

1-O-{(2E,4E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-Hexamethyl-6-[(3Z)-12-methyl-1-oxo-3-tetradecen-2-yl]-2,4,8,10,12,14,16,18,22-tetracosanonaenoyl}-α-D-glucopyranose [ACD/IUPAC Name]
1-O-{(2E,4E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-Hexamethyl-6-[(3Z)-12-methyl-1-oxo-3-tetradecen-2-yl]-2,4,8,10,12,14,16,18,22-tetracosanonaenoyl}-α-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-{(2E,4E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-Hexaméthyl-6-[(3Z)-12-méthyl-1-oxo-3-tétradécén-2-yl]-2,4,8,10,12,14,16,18,22-tetracosanonaenoyl}-α-D-glucopyranose [French] [ACD/IUPAC Name]
α-D-Glucopyranose, 1-O-[(2E,4E,8E,10E,12E,14E,16E,18E)-6-[(2Z)-1-formyl-11-methyl-2-tridecen-1-yl]-2,6,11,15,19,23-hexamethyl-1-oxo-2,4,8,10,12,14,16,18,22-tetracosanonaen-1-yl]- [ACD/Index Name]
71869-01-7 [RN]
8'-Apo-ψ,ψ-carotenoic acid, 6-O-(12-methyl-1-oxotetradecyl)-α-D-glucopyranosyl ester
Alapha-D-glucopyranosyl 1-O-(4,4'-diaponeurosporen-4-oate) 6-O-(12-methyltetradecanoate)
Staphyloxanthin

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 896.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.0±6.0 kJ/mol
Flash Point: 246.6±27.8 °C
Index of Refraction: 1.548
Molar Refractivity: 244.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 2
ACD/LogP: 15.58
ACD/LogD (pH 5.5): 12.02
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.02
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 134 Å2
Polarizability: 96.8±0.5 10-24cm3
Surface Tension: 46.4±5.0 dyne/cm
Molar Volume: 768.8±5.0 cm3

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