ChemSpider 2D Image | ADYNERIN | C30H44O7

ADYNERIN

  • Molecular FormulaC30H44O7
  • Average mass516.666 Da
  • Monoisotopic mass516.308716 Da
  • ChemSpider ID390417

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,5β)-3-[(2,6-Dideoxy-3-O-methyl-β-D-lyxo-hexopyranosyl)oxy]-8,14-epoxycard-20(22)-enolide
(3β,5β)-3-[(2,6-Dideoxy-3-O-methyl-β-D-lyxo-hexopyranosyl)oxy]-8,14-epoxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-[(2,6-Didesoxy-3-O-methyl-β-D-lyxo-hexopyranosyl)oxy]-8,14-epoxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-[(2,6-Didésoxy-3-O-méthyl-β-D-lyxo-hexopyranosyl)oxy]-8,14-époxycard-20(22)-énolide [French] [ACD/IUPAC Name]
2197H7M23Y
35109-93-4 [RN]
ADYNERIN
Card-20(22)-enolide, 3-[(2,6-dideoxy-3-O-methyl-β-D-lyxo-hexopyranosyl)oxy]-8,14-epoxy-, (3β,5β)- [ACD/Index Name]
3β-O-(β-D-diginosyl)-8,14-epoxy-5β,14β-card-20(22)-enolide
Adynerigenin 3-O-β-D-diginoside
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C08845 [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: 665.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 111.9±6.0 kJ/mol
Flash Point: 214.8±25.0 °C
Index of Refraction: 1.578
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.91
ACD/KOC (pH 5.5): 667.07
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.91
ACD/KOC (pH 7.4): 667.07
Polar Surface Area: 87 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 411.5±5.0 cm3

Click to predict properties on the Chemicalize site


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