ChemSpider 2D Image | (1S,4R,8beta,9beta,13alpha,24R)-25-Hydroxy-1-{[6-O-(alpha-D-mannopyranosyl)-alpha-D-mannopyranosyl]oxy}-9,10,14-trimethyl-11-oxo-4,9-cyclo-9,10-secocholest-5-en-24-yl 2-O-alpha-D-mannopyranosyl-alpha- D-mannopyranoside | C54H90O24

(1S,4R,8β,9β,13α,24R)-25-Hydroxy-1-{[6-O-(α-D-mannopyranosyl)-α-D-mannopyranosyl]oxy}-9,10,14-trimethyl-11-oxo-4,9-cyclo-9,10-secocholest-5-en-24-yl 2-O-α-D-mannopyranosyl-α- D-mannopyranoside

  • Molecular FormulaC54H90O24
  • Average mass1123.278 Da
  • Monoisotopic mass1122.582153 Da
  • ChemSpider ID113609405

  • defined stereocentres - 29 of 29 defined stereocentres

More details:

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

(1S,4R,8β,9β,13α,24R)-25-Hydroxy-1-{[6-O-(α-D-mannopyranosyl)-α-D-mannopyranosyl]oxy}-9,10,14-trimethyl-11-oxo-4,9-cyclo-9,10-secocholest-5-en-24-yl 2-O-α-D-mannopyranosyl-α- D-mannopyranoside [ACD/IUPAC Name]
(1S,4R,8β,9β,13α,24R)-25-Hydroxy-1-{[6-O-(α-D-mannopyranosyl)-α-D-mannopyranosyl]oxy}-9,10,14-trimethyl-11-oxo-4,9-cyclo-9,10-secocholest-5-en-24-yl-2-O-α-D-mannopyranosyl-α- D-mannopyranosid [German] [ACD/IUPAC Name]
2-O-α-D-Mannopyranosyl-α-D-mannopyranoside de (1S,4R,8β,9β,13α,24R)-25-hydroxy-1-{[6-O-(α-D-mannopyranosyl)-α-D-mannopyranosyl]oxy}-9,10,14-triméthyl-11-oxo-4,9-cyclo-9,10-sé cocholest-5-én-24-yle [French] [ACD/IUPAC Name]
Estr-5-en-11-one, 17-[(1R,4R)-5-hydroxy-4-[(2-O-α-D-mannopyranosyl-α-D-mannopyranosyl)oxy]-1,5-dimethylhexyl]-3-[(6-O-α-D-mannopyranosyl-α-D-mannopyranosyl)oxy]-4,4,9,14-tetramethyl-, 
(3β,8α,9β,10α,13α,17β)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1180.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 197.2±6.0 kJ/mol
Flash Point: 324.2±27.8 °C
Index of Refraction: 1.629
Molar Refractivity: 272.0±0.4 cm3
#H bond acceptors: 24
#H bond donors: 15
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 0.95
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.95
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.95
Polar Surface Area: 394 Å2
Polarizability: 107.8±0.5 10-24cm3
Surface Tension: 80.7±5.0 dyne/cm
Molar Volume: 765.0±5.0 cm3

Click to predict properties on the Chemicalize site


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