ChemSpider 2D Image | Hebevinoside IV | C36H60O7

Hebevinoside IV

  • Molecular FormulaC36H60O7
  • Average mass604.857 Da
  • Monoisotopic mass604.433899 Da
  • ChemSpider ID10272842

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(1S,4S,7S,9β,16β)-16-Hydroxy-7-methoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-1-yl β-D-xylopyranoside [ACD/IUPAC Name]
(1S,4S,7S,9β,16β)-16-Hydroxy-7-methoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-1-yl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
Hebevinoside IV
β-D-Xylopyranoside de (1S,4S,7S,9β,16β)-16-hydroxy-7-méthoxy-9,10,14-triméthyl-4,9-cyclo-9,10-sécocholesta-5,24-dién-1-yle [French] [ACD/IUPAC Name]
β-D-Xylopyranoside, (3β,7β,9β,10α,16β,17β)-17-[(1R)-1,5-dimethyl-4-hexen-1-yl]-16-hydroxy-7-methoxy-4,4,9,14-tetramethylestr-5-en-3-yl [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 680.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.2±6.0 kJ/mol
Flash Point: 365.1±31.5 °C
Index of Refraction: 1.559
Molar Refractivity: 169.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.99
ACD/LogD (pH 5.5): 6.71
ACD/BCF (pH 5.5): 74157.38
ACD/KOC (pH 5.5): 106570.50
ACD/LogD (pH 7.4): 6.71
ACD/BCF (pH 7.4): 74156.98
ACD/KOC (pH 7.4): 106569.91
Polar Surface Area: 109 Å2
Polarizability: 67.0±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 523.4±5.0 cm3

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