ChemSpider 2D Image | (3beta,5beta,7beta,11beta)-3-[(2,6-Dideoxy-3-O-methyl-beta-D-ribo-hexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-epoxycard-20(22)-enolide | C30H42O10

(3β,5β,7β,11β)-3-[(2,6-Dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-epoxycard-20(22)-enolide

  • Molecular FormulaC30H42O10
  • Average mass562.648 Da
  • Monoisotopic mass562.277771 Da
  • ChemSpider ID169326

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3β,5β,7β,11β)-3-[(2,6-Dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-epoxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,7β,11β)-3-[(2,6-Didesoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-epoxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,7β,11β)-3-[(2,6-Didésoxy-3-O-méthyl-β-D-ribo-hexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-époxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-7,8-epoxy-11,14-dihydroxy-12-oxo-, (3β,5β,7β,11β)- [ACD/Index Name]
(1R,3S,5S,7S,10S,11S,12R,14R,15R,18R)-12,18-Dihydroxy-7-[(2R,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,14-dimethyl-15-(5-oxo-2H-furan-3-yl)-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-13-one
118004-72-1 [RN]
7,8-Epoxysinogenin 3-methylglycosides
7,8-Esmg
7,8β-Epoxysinogenin 3α-(D-methylglycoside)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 770.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 127.9±6.0 kJ/mol
Flash Point: 251.3±26.4 °C
Index of Refraction: 1.608
Molar Refractivity: 139.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.28
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.64
ACD/KOC (pH 5.5): 49.62
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.64
ACD/KOC (pH 7.4): 49.62
Polar Surface Area: 144 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 403.9±5.0 cm3

Click to predict properties on the Chemicalize site


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