ChemSpider 2D Image | (3beta,9beta,17xi,22S)-25,26-Dihydroxy-16-methoxy-4,4,14-trimethyl-24-oxo-9,19-cyclofurostan-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | C43H70O16

(3β,9β,17ξ,22S)-25,26-Dihydroxy-16-methoxy-4,4,14-trimethyl-24-oxo-9,19-cyclofurostan-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside

  • Molecular FormulaC43H70O16
  • Average mass843.006 Da
  • Monoisotopic mass842.466370 Da
  • ChemSpider ID9051890

  • defined stereocentres - 19 of 22 defined stereocentres

More details:

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

(3β,9β,17ξ,22S)-25,26-Dihydroxy-16-methoxy-4,4,14-trimethyl-24-oxo-9,19-cyclofurostan-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
(3β,9β,17ξ,22S)-25,26-Dihydroxy-16-methoxy-4,4,14-trimethyl-24-oxo-9,19-cyclofurostan-3-yl-2-O-β-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-O-β-D-Glucopyranosyl-β-D-glucopyranoside de (3β,9β,17ξ,22S)-25,26-dihydroxy-16-méthoxy-4,4,14-triméthyl-24-oxo-9,19-cyclofurostan-3-yle [French] [ACD/IUPAC Name]
9,19-Cyclofurostan-24-one, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-25,26-dihydroxy-16-methoxy-4,4,14-trimethyl-, (3β,9β,17ξ,22α)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 956.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 157.8±6.0 kJ/mol
Flash Point: 280.0±27.8 °C
Index of Refraction: 1.617
Molar Refractivity: 208.9±0.4 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 1.16
ACD/BCF (pH 5.5): 4.45
ACD/KOC (pH 5.5): 101.34
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 4.45
ACD/KOC (pH 7.4): 101.34
Polar Surface Area: 255 Å2
Polarizability: 82.8±0.5 10-24cm3
Surface Tension: 71.9±5.0 dyne/cm
Molar Volume: 597.0±5.0 cm3

Click to predict properties on the Chemicalize site


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