ChemSpider 2D Image | (3beta,5beta,19E)-3-[(2,6-Dideoxy-beta-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-[(3-hydroxypropyl)imino]card-20(22)-enolide | C32H49NO9

(3β,5β,19E)-3-[(2,6-Dideoxy-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-[(3-hydroxypropyl)imino]card-20(22)-enolide

  • Molecular FormulaC32H49NO9
  • Average mass591.733 Da
  • Monoisotopic mass591.340759 Da
  • ChemSpider ID17467694

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,5β,19E)-3-[(2,6-Dideoxy-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-[(3-hydroxypropyl)imino]card-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,19E)-3-[(2,6-Didesoxy-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-[(3-hydroxypropyl)imino]card-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,19E)-3-[(2,6-Didésoxy-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-[(3-hydroxypropyl)imino]card-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-[(3-hydroxypropyl)imino]-, (3β,5β,19E)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 804.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.2±6.0 kJ/mol
Flash Point: 440.2±34.3 °C
Index of Refraction: 1.660
Molar Refractivity: 148.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.18
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.09
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 2.07
ACD/KOC (pH 7.4): 56.60
Polar Surface Area: 158 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 58.8±7.0 dyne/cm
Molar Volume: 403.3±7.0 cm3

Click to predict properties on the Chemicalize site


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