ChemSpider 2D Image | (3beta,5beta,14xi)-3-[(4-Amino-4,6-dideoxy-beta-D-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide | C29H45NO7

(3β,5β,14ξ)-3-[(4-Amino-4,6-dideoxy-β-D-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide

  • Molecular FormulaC29H45NO7
  • Average mass519.670 Da
  • Monoisotopic mass519.319580 Da
  • ChemSpider ID2298055

  • defined stereocentres - 12 of 13 defined stereocentres

More details:

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

(3β,5β,14ξ)-3-[(4-Amino-4,6-dideoxy-β-D-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,14ξ)-3-[(4-Amino-4,6-didesoxy-β-D-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,14ξ)-3-[(4-Amino-4,6-didésoxy-β-D-glucopyranosyl)oxy]-14-hydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(4-amino-4,6-dideoxy-β-D-glucopyranosyl)oxy]-14-hydroxy-, (3β,5β,14ξ)- [ACD/Index Name]
3β-O-(4amino-4,6-Dideoxy-β-D-glucopyranosyl)digitoxigenin
65955-49-9 [RN]
CARD-20(22)-ENOLIDE, 3-((4-AMINO-4,6-DIDEOXY-β-D-GLUCOPYRANOSYL)OXY)-14-HYDRO
Card-20(22)enolide, 3-((4-amino-4,6-dideoxy-β-D-glucopyranosyl)oxy)-14-hydroxy-, (3β,5β)-

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

Asi 254 [DBID]
Asi-254 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 695.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 116.4±6.0 kJ/mol
Flash Point: 374.3±31.5 °C
Index of Refraction: 1.600
Molar Refractivity: 137.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 3.02
ACD/LogD (pH 5.5): -0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 13.13
Polar Surface Area: 131 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 401.0±5.0 cm3

Click to predict properties on the Chemicalize site


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