ChemSpider 2D Image | P57 (glycoside) | C47H74O15

P57 (glycoside)

  • Molecular FormulaC47H74O15
  • Average mass879.081 Da
  • Monoisotopic mass878.502747 Da
  • ChemSpider ID8138385
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 21 of 21 defined stereocentres


More details:






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

(2E)-2-Méthyl-2-buténoate de (3β,12β,14β)-3-{[6-désoxy-3-O-méthyl-β-D-glucopyranosyl-(1->4)-2,6-didésoxy-3-O-méthyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-didésoxy-3-O-méthyl-β-D-ribo-hex
 opyranosyl]oxy}-14-hydroxy-20-oxoprégn-5-én-12-yle [French] [ACD/IUPAC Name]
(3β,12β,14β)-3-{[6-Deoxy-3-O-methyl-β-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl]oxy}-14-hydroxy-20-ox
 opregn-5-en-12-yl (2E)-2-methyl-2-butenoate [ACD/IUPAC Name]
(3β,12β,14β)-3-{[6-Desoxy-3-O-methyl-β-D-glucopyranosyl-(1->4)-2,6-didesoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-didesoxy-3-O-methyl-β-D-ribo-hexopyranosyl]oxy}-14-hydroxy-20
 -oxopregn-5-en-12-yl-(2E)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (3β,12β,14β)-3-[[O-6-deoxy-3-O-methyl-β-D-glucopyranosyl-(1->4)-O-2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-β-D-ribo-hex
 opyranosyl]oxy]-14-hydroxy-20-oxopregn-5-en-12-yl ester, (2E)- [ACD/Index Name]
P57
P57 (glycoside) [Wiki]
P57AS3
384329-61-7 [RN]
P-57AS3
UNII-870A6Q6XVJ

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 882.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.7±6.0 kJ/mol
Flash Point: 248.4±27.8 °C
Index of Refraction: 1.558
Molar Refractivity: 226.6±0.4 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 6.24
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 4462.31
ACD/KOC (pH 5.5): 14254.36
ACD/LogD (pH 7.4): 5.11
ACD/BCF (pH 7.4): 4462.29
ACD/KOC (pH 7.4): 14254.29
Polar Surface Area: 187 Å2
Polarizability: 89.8±0.5 10-24cm3
Surface Tension: 52.4±5.0 dyne/cm
Molar Volume: 703.0±5.0 cm3

Click to predict properties on the Chemicalize site





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