ChemSpider 2D Image | (4R,7R,8xi,9beta,16beta,17xi)-7-Methoxy-9,10,14-trimethyl-1-(beta-D-xylopyranosyloxy)-4,9-cyclo-9,10-secocholesta-5,24-dien-16-yl beta-D-allopyranoside | C42H70O12

(4R,7R,8ξ,9β,16β,17ξ)-7-Methoxy-9,10,14-trimethyl-1-(β-D-xylopyranosyloxy)-4,9-cyclo-9,10-secocholesta-5,24-dien-16-yl β-D-allopyranoside

  • Molecular FormulaC42H70O12
  • Average mass766.998 Da
  • Monoisotopic mass766.486755 Da
  • ChemSpider ID157463

  • defined stereocentres - 16 of 19 defined stereocentres

More details:

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

(4R,7R,8ξ,9β,16β,17ξ)-7-Methoxy-9,10,14-trimethyl-1-(β-D-xylopyranosyloxy)-4,9-cyclo-9,10-secocholesta-5,24-dien-16-yl β-D-allopyranoside [ACD/IUPAC Name]
(4R,7R,8ξ,9β,16β,17ξ)-7-Methoxy-9,10,14-trimethyl-1-(β-D-xylopyranosyloxy)-4,9-cyclo-9,10-secocholesta-5,24-dien-16-yl-β-D-allopyranosid [German] [ACD/IUPAC Name]
β-D-Allopyranoside de (4R,7R,8ξ,9β,16β,17ξ)-7-méthoxy-9,10,14-triméthyl-1-(β-D-xylopyranosyloxy)-4,9-cyclo-9,10-sécocholesta-5,24-dién-16-yle [French] [ACD/IUPAC Name]
β-D-Allopyranoside, (7α,8ξ,9β,16β)-17-[(1R)-1,5-dimethyl-4-hexen-1-yl]-7-methoxy-4,4,9,14-tetramethyl-3-(β-D-xylopyranosyloxy)estr-5-en-16-yl [ACD/Index Name]
101365-12-2 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 830.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.4±6.0 kJ/mol
Flash Point: 456.3±34.3 °C
Index of Refraction: 1.583
Molar Refractivity: 202.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 4
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3426.12
ACD/KOC (pH 5.5): 11797.95
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3426.08
ACD/KOC (pH 7.4): 11797.82
Polar Surface Area: 188 Å2
Polarizability: 80.4±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 607.0±5.0 cm3

Click to predict properties on the Chemicalize site


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