ChemSpider 2D Image | Neurosporaxanthin beta-D-glucopyranoside | C41H56O7

Neurosporaxanthin β-D-glucopyranoside

  • Molecular FormulaC41H56O7
  • Average mass660.879 Da
  • Monoisotopic mass660.402588 Da
  • ChemSpider ID30908633

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 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,20E)-2,6,10,15,19-Pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8,10,12,14,16,18,20-henicosadecaenoyl]-β-L-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-Pentamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8,10,12,14,16,18,20-henicosadecaenoyl]-β-L-glucopyranose [ACD/IUPAC Name]
1-O-[(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-Pentaméthyl-21-(2,6,6-triméthyl-1-cyclohexén-1-yl)-2,4,6,8,10,12,14,16,18,20-henicosadecaenoyl]-β-L-glucopyranose [French] [ACD/IUPAC Name]
Neurosporaxanthin β-D-glucopyranoside
β-L-Glucopyranose, 1-O-[(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-2,6,10,15,19-pentamethyl-1-oxo-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8,10,12,14,16,18,20-heneicosadecaen-1-yl]- [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: 811.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.6 mmHg at 25°C
Enthalpy of Vaporization: 134.3±6.0 kJ/mol
Flash Point: 240.1±27.8 °C
Index of Refraction: 1.581
Molar Refractivity: 194.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 11.66
ACD/LogD (pH 5.5): 9.07
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2038877.00
ACD/LogD (pH 7.4): 9.07
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2038850.13
Polar Surface Area: 116 Å2
Polarizability: 77.3±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 585.1±5.0 cm3

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