ChemSpider 2D Image | nephthoside monoacetate | C34H50O7

nephthoside monoacetate

  • Molecular FormulaC34H50O7
  • Average mass570.757 Da
  • Monoisotopic mass570.355652 Da
  • ChemSpider ID8897114

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4-Hydroxy-2-methyl-5-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]phenyl 4-O-acetyl-β-D-arabinopyranoside [ACD/IUPAC Name]
4-Hydroxy-2-methyl-5-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]phenyl-4-O-acetyl-β-D-arabinopyranosid [German] [ACD/IUPAC Name]
4-O-Acétyl-β-D-arabinopyranoside de 4-hydroxy-2-méthyl-5-[(2E,6E,10E)-3,7,11,15-tétraméthyl-2,6,10,14-hexadécatétraén-1-yl]phényle [French] [ACD/IUPAC Name]
nephthoside monoacetate
β-D-Arabinopyranoside, 4-hydroxy-2-methyl-5-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl]phenyl, 4-acetate [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL462765/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 698.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 212.4±25.0 °C
Index of Refraction: 1.556
Molar Refractivity: 162.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 8.60
ACD/LogD (pH 5.5): 7.17
ACD/BCF (pH 5.5): 166575.28
ACD/KOC (pH 5.5): 190196.89
ACD/LogD (pH 7.4): 7.17
ACD/BCF (pH 7.4): 166393.95
ACD/KOC (pH 7.4): 189989.84
Polar Surface Area: 105 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 507.0±5.0 cm3

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