ChemSpider 2D Image | (3beta,5beta,16beta)-3-{[2,6-Dideoxy-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-D-ribo-hexopyranosyl]oxy}-16-(formyloxy)-14-hydroxycard-20(22)-enolide | C42H64O15

(3β,5β,16β)-3-{[2,6-Dideoxy-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-D-ribo-hexopyranosyl]oxy}-16-(formyloxy)-14-hydroxycard-20(22)-enolide

  • Molecular FormulaC42H64O15
  • Average mass808.949 Da
  • Monoisotopic mass808.424500 Da
  • ChemSpider ID57524909

  • defined stereocentres - 18 of 21 defined stereocentres

More details:

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

(3β,5β,16β)-3-{[2,6-Dideoxy-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-D-ribo-hexopyranosyl]oxy}-16-(formyloxy)-14-hydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,16β)-3-{[2,6-Didesoxy-D-ribo-hexopyranosyl-(1->4)-2,6-didesoxy-D-ribo-hexopyranosyl-(1->4)-2,6-didesoxy-D-ribo-hexopyranosyl]oxy}-16-(formyloxy)-14-hydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,16β)-3-{[2,6-Didésoxy-D-ribo-hexopyranosyl-(1->4)-2,6-didésoxy-D-ribo-hexopyranosyl-(1->4)-2,6-didésoxy-D-ribo-hexopyranosyl]oxy}-16-(formyloxy)-14-hydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[[O-2,6-dideoxy-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-D-ribo-hexopyranosyl]oxy]-16-(formyloxy)-14-hydroxy-, (3β,5β,16β)- [ACD/Index Name]
3261-53-8 [RN]
gitaloxin [INN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 931.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 153.7±6.0 kJ/mol
Flash Point: 275.9±27.8 °C
Index of Refraction: 1.594
Molar Refractivity: 201.6±0.4 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.62
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.24
ACD/KOC (pH 5.5): 244.56
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.24
ACD/KOC (pH 7.4): 244.56
Polar Surface Area: 209 Å2
Polarizability: 79.9±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 593.9±5.0 cm3

Click to predict properties on the Chemicalize site


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