ChemSpider 2D Image | (3beta,5beta)-3-[(2,6-Dideoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide | C30H44O9

(3β,5β)-3-[(2,6-Dideoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide

  • Molecular FormulaC30H44O9
  • Average mass548.665 Da
  • Monoisotopic mass548.298523 Da
  • ChemSpider ID192835

  • defined stereocentres - 8 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-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-[(2,6-Didesoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-[(2,6-Didésoxy-3-O-méthylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[(2,6-dideoxy-3-O-methylhexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3β,5β)- [ACD/Index Name]
5β,17α-Card-20(22)enolide, 3β,5,14-trihydroxy-19-oxo-, 3-cymaroside
Card-20(22)-enolide, 3-[(2,6-dideoxy-3-O-methyl-β-D-ribo-hexopyranosyl)oxy]-5,14-dihydroxy-19-oxo-, (3β,5β)-
WLN: L E5 B666TJ AVH E1 IQ MQ F- DT5OV EHJ& OO- FT6OTJ B1 CQ DO1
WV 90043 a

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

NCI60_041646 [DBID]
NSC7522 [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: 722.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.5±6.0 kJ/mol
Flash Point: 232.7±26.4 °C
Index of Refraction: 1.590
Molar Refractivity: 140.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.27
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 2.23
ACD/KOC (pH 5.5): 61.72
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 2.23
ACD/KOC (pH 7.4): 61.72
Polar Surface Area: 132 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 415.7±5.0 cm3

Click to predict properties on the Chemicalize site


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