ChemSpider 2D Image | Erisimin | C29H42O9

Erisimin

  • Molecular FormulaC29H42O9
  • Average mass534.638 Da
  • Monoisotopic mass534.282898 Da
  • ChemSpider ID390436
  • defined stereocentres - 12 of 12 defined stereocentres


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Featured data source



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

(3b,5b)-[(2,6-Dideoxy-b-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide
(3β,5β)-3-((2,6-Dideoxy-β-D -ribo-hexopyranosyl)oxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide
(3β,5β)-3-[(2,6-Dideoxy-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-[(2,6-Didesoxy-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-[(2,6-Didésoxy-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
211-140-9 [EINECS]
3b-[(2,6-Dideoxy-b-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-5b-card-20(22)-enolide
52OAE3C457
630-64-8 [RN]
ALLEOSIDE A
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C08869 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 735.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.5±6.0 kJ/mol
Flash Point: 240.3±26.4 °C
Index of Refraction: 1.609
Molar Refractivity: 135.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.09
ACD/LogD (pH 5.5): 0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 31.68
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 31.68
Polar Surface Area: 143 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 390.9±5.0 cm3

Click to predict properties on the Chemicalize site






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