ChemSpider 2D Image | (3beta,12beta,14beta,17alpha)-8,12,14-Trihydroxy-20-oxopregn-5-en-3-yl 2,6-dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-arabino-h exopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranoside | C46H74O17

(3β,12β,14β,17α)-8,12,14-Trihydroxy-20-oxopregn-5-en-3-yl 2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-arabino-h exopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranoside

  • Molecular FormulaC46H74O17
  • Average mass899.070 Da
  • Monoisotopic mass898.492615 Da
  • ChemSpider ID8593701

  • defined stereocentres - 24 of 24 defined stereocentres

More details:

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

(3β,12β,14β,17α)-8,12,14-Trihydroxy-20-oxopregn-5-en-3-yl 2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-arabino-h 
exopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranoside [ACD/IUPAC Name]
(3β,12β,14β,17α)-8,12,14-Trihydroxy-20-oxopregn-5-en-3-yl-2,6-didesoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-didesoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-didesoxy-β-D-arabin 
o-hexopyranosyl-(1->4)-2,6-didesoxy-β-D-ribo-hexopyranosid [German] [ACD/IUPAC Name]
2,6-Didésoxy-3-O-méthyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-didésoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-didésoxy-β-D-arabino-hexopyranosyl-(1->4)-2,6-didésoxy-β-D-ribo-hexopyranoside de (3bêt a,12β,14β,17α)-8,12,14-trihydroxy-20-oxoprégn-5-én-3-yle [French] [ACD/IUPAC Name]
Pregn-5-en-20-one, 3-[[O-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-β-D-arabino-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-rib o-hexopyranosyl]oxy]-8,12,14-trihydroxy-, (3β,12β,14β,17α)- [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: 978.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 161.7±6.0 kJ/mol
Flash Point: 281.2±27.8 °C
Index of Refraction: 1.593
Molar Refractivity: 224.5±0.4 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.36
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 4.08
ACD/KOC (pH 5.5): 95.26
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 4.08
ACD/KOC (pH 7.4): 95.25
Polar Surface Area: 242 Å2
Polarizability: 89.0±0.5 10-24cm3
Surface Tension: 63.8±5.0 dyne/cm
Molar Volume: 662.6±5.0 cm3

Click to predict properties on the Chemicalize site


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