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-3-O-methyl-beta-D-arabino-hexopyranosyl-(1->4)-2,6-dideoxy-3-
O-methyl-beta-D-arabino-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranoside | C48H78O17

(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-3-O-methyl-β-D-arabino-hexopyranosyl-(1->4)-2,6-dideoxy-3- O-methyl-β-D-arabino-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranoside

  • Molecular FormulaC48H78O17
  • Average mass927.123 Da
  • Monoisotopic mass926.523926 Da
  • ChemSpider ID8277845
  • 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-3-O-methyl-β-D-arabino-hexopyranosyl-(1->4)-2,6-dideoxy-3-
 O-methyl-β-D-arabino-hexopyranosyl-(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-3-O-methyl-β-D-arabino-hexopyranosyl-(1->;4)-2,6-didesoxy
 -3-O-methyl-β-D-arabino-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-3-O-méthyl-β-D-arabino-hexopyranosyl-(1->4)-2,6-didésoxy-3-O-méthyl-β-D-arabino-hexopyranosyl-(1->4)-2,6-didésoxy-β-D-rib o-hexopyranoside de (3β,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-3-O-methyl-β-D-arabino-hexopyranosyl-(1->4)-O-2,6-dideoxy-3-O-methyl-β-D-arabino-hexopyranosyl-(1-> ;4)-2,6-dideoxy-β-D-ribo-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

Density: 1.3±0.1 g/cm3
Boiling Point: 936.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 154.6±6.0 kJ/mol
Flash Point: 263.2±27.8 °C
Index of Refraction: 1.572
Molar Refractivity: 234.2±0.4 cm3
#H bond acceptors: 17
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.63
ACD/KOC (pH 5.5): 625.85
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.63
ACD/KOC (pH 7.4): 625.85
Polar Surface Area: 220 Å2
Polarizability: 92.8±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 712.0±5.0 cm3

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