ChemSpider 2D Image | (3beta,5beta,8xi,9xi,14beta,17beta)-3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-14-hydroxy-19-oxo-17-[(2S)-5-oxo-2,5-dihydro-2-furanyl]androstan-5-yl 6-deoxy-L-mannopyranoside | C35H52O14

(3β,5β,8ξ,9ξ,14β,17β)-3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-14-hydroxy-19-oxo-17-[(2S)-5-oxo-2,5-dihydro-2-furanyl]androstan-5-yl 6-deoxy-L-mannopyranoside

  • Molecular FormulaC35H52O14
  • Average mass696.779 Da
  • Monoisotopic mass696.335693 Da
  • ChemSpider ID9939956

  • defined stereocentres - 15 of 19 defined stereocentres

More details:

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

(3β,5β,8ξ,9ξ,14β,17β)-3-[(6-Deoxy-α-L-mannopyranosyl)oxy]-14-hydroxy-19-oxo-17-[(2S)-5-oxo-2,5-dihydro-2-furanyl]androstan-5-yl 6-deoxy-L-mannopyranoside [ACD/IUPAC Name]
(3β,5β,8ξ,9ξ,14β,17β)-3-[(6-Desoxy-α-L-mannopyranosyl)oxy]-14-hydroxy-19-oxo-17-[(2S)-5-oxo-2,5-dihydro-2-furanyl]androstan-5-yl-6-desoxy-L-mannopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-L-mannopyranoside de (3β,5β,8ξ,9ξ,14β,17β)-3-[(6-désoxy-α-L-mannopyranosyl)oxy]-14-hydroxy-19-oxo-17-[(2S)-5-oxo-2,5-dihydro-2-furanyl]androstan-5-yle [French] [ACD/IUPAC Name]
Androstan-19-al, 3-[(6-deoxy-α-L-mannopyranosyl)oxy]-5-[(6-deoxy-L-mannopyranosyl)oxy]-17-[(2S)-2,5-dihydro-5-oxo-2-furanyl]-14-hydroxy-, (3β,5β,8ξ,9ξ,14β,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: 873.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 144.3±6.0 kJ/mol
Flash Point: 271.3±27.8 °C
Index of Refraction: 1.630
Molar Refractivity: 169.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.35
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.73
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.73
Polar Surface Area: 222 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 75.4±5.0 dyne/cm
Molar Volume: 476.1±5.0 cm3

Click to predict properties on the Chemicalize site


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