ChemSpider 2D Image | (1S,3S,7S,8S,9S,11S,13S,17S,18S,19S)-19-[(3,4-Di-O-methyl-beta-D-xylopyranosyl)oxy]-8,18-dimethyl-3,13-bis[(1S,2S)-2-methylcyclopropyl]-5,15-dioxo-4,14,21,22-tetraoxatricyclo[15.3.1.1~7,11~]docos-9-yl 2,3,4-tri-O-methyl-beta-D-xylopyranoside | C43H70O16

(1S,3S,7S,8S,9S,11S,13S,17S,18S,19S)-19-[(3,4-Di-O-methyl-β-D-xylopyranosyl)oxy]-8,18-dimethyl-3,13-bis[(1S,2S)-2-methylcyclopropyl]-5,15-dioxo-4,14,21,22-tetraoxatricyclo[15.3.1.17,11]docos-9-yl 2,3,4-tri-O-methyl-β-D-xylopyranoside

  • Molecular FormulaC43H70O16
  • Average mass843.006 Da
  • Monoisotopic mass842.466370 Da
  • ChemSpider ID9910224

  • defined stereocentres - 22 of 22 defined stereocentres

More details:

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

(1S,3S,7S,8S,9S,11S,13S,17S,18S,19S)-19-[(3,4-Di-O-methyl-β-D-xylopyranosyl)oxy]-8,18-dimethyl-3,13-bis[(1S,2S)-2-methylcyclopropyl]-5,15-dioxo-4,14,21,22-tetraoxatricyclo[15.3.1.17,11]docos-9-yl 2,3,4-tri-O-methyl-β-D-xylopyranoside [ACD/IUPAC Name]
(1S,3S,7S,8S,9S,11S,13S,17S,18S,19S)-19-[(3,4-Di-O-methyl-β-D-xylopyranosyl)oxy]-8,18-dimethyl-3,13-bis[(1S,2S)-2-methylcyclopropyl]-5,15-dioxo-4,14,21,22-tetraoxatricyclo[15.3.1.17,11]docos-9-yl -2,3,4-tri-O-methyl-β-D-xylopyranosid [German] [ACD/IUPAC Name]
2,3,4-Tri-O-méthyl-β-D-xylopyranoside de (1S,3S,7S,8S,9S,11S,13S,17S,18S,19S)-19-[(3,4-di-O-méthyl-β-D-xylopyranosyl)oxy]-8,18-diméthyl-3,13-bis[(1S,2S)-2-méthylcyclopropyl]-5,15-dioxo-4,14,21,2 2-tétraoxatricyclo[15.3.1.17,11]docos-9-yle [French] [ACD/IUPAC 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: 892.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.3±6.0 kJ/mol
Flash Point: 257.8±27.8 °C
Index of Refraction: 1.535
Molar Refractivity: 210.8±0.4 cm3
#H bond acceptors: 16
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.30
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 360.20
ACD/KOC (pH 5.5): 2352.76
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 360.20
ACD/KOC (pH 7.4): 2352.75
Polar Surface Area: 174 Å2
Polarizability: 83.6±0.5 10-24cm3
Surface Tension: 49.2±5.0 dyne/cm
Molar Volume: 677.3±5.0 cm3

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