ChemSpider 2D Image | (3beta,5beta,14beta,17beta)-14-Hydroxy-17-[(1R,5S)-4-oxo-3,6,7,8-tetraoxabicyclo[3.2.1]oct-1-yl]androstan-3-yl 6-deoxy-beta-L-mannopyranoside | C29H44O11

(3β,5β,14β,17β)-14-Hydroxy-17-[(1R,5S)-4-oxo-3,6,7,8-tetraoxabicyclo[3.2.1]oct-1-yl]androstan-3-yl 6-deoxy-β-L-mannopyranoside

  • Molecular FormulaC29H44O11
  • Average mass568.653 Da
  • Monoisotopic mass568.288391 Da
  • ChemSpider ID8161027

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(3β,5β,14β,17β)-14-Hydroxy-17-[(1R,5S)-4-oxo-3,6,7,8-tetraoxabicyclo[3.2.1]oct-1-yl]androstan-3-yl 6-deoxy-β-L-mannopyranoside [ACD/IUPAC Name]
(3β,5β,14β,17β)-14-Hydroxy-17-[(1R,5S)-4-oxo-3,6,7,8-tetraoxabicyclo[3.2.1]oct-1-yl]androstan-3-yl-6-desoxy-β-L-mannopyranosid [German] [ACD/IUPAC Name]
3,6,7,8-Tetraoxabicyclo[3.2.1]octan-2-one, 5-[(3β,5β,14β,17β)-3-[(6-deoxy-β-L-mannopyranosyl)oxy]-14-hydroxyandrostan-17-yl]-, (1S,5R)- [ACD/Index Name]
6-Désoxy-β-L-mannopyranoside de (3β,5β,14β,17β)-14-hydroxy-17-[(1R,5S)-4-oxo-3,6,7,8-tétraoxabicyclo[3.2.1]oct-1-yl]androstan-3-yle [French] [ACD/IUPAC 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: 705.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.0±6.0 kJ/mol
Flash Point: 227.4±26.4 °C
Index of Refraction: 1.606
Molar Refractivity: 138.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 38.25
ACD/KOC (pH 5.5): 472.58
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 38.25
ACD/KOC (pH 7.4): 472.58
Polar Surface Area: 153 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 401.7±5.0 cm3

Click to predict properties on the Chemicalize site


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