Found 8 results

Search term: MF = 'C_{34}H_{50}O_{14}'
ChemSpider 2D Image | (3beta,5beta)-3-{[(4xi)-6-Deoxy-4-O-(beta-D-xylopyranosyl)-L-xylo-hexopyranosyl]oxy}-14,16-dihydroxy-19-oxocard-20(22)-enolide | C34H50O14

(3β,5β)-3-{[(4ξ)-6-Deoxy-4-O-(β-D-xylopyranosyl)-L-xylo-hexopyranosyl]oxy}-14,16-dihydroxy-19-oxocard-20(22)-enolide

  • Molecular FormulaC34H50O14
  • Average mass682.752 Da
  • Monoisotopic mass682.320068 Da
  • ChemSpider ID163904

  • defined stereocentres - 15 of 18 defined stereocentres

More details:

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

(3β,5β)-3-{[(4ξ)-6-Deoxy-4-O-(β-D-xylopyranosyl)-L-xylo-hexopyranosyl]oxy}-14,16-dihydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-3-{[(4ξ)-6-Desoxy-4-O-(β-D-xylopyranosyl)-L-xylo-hexopyranosyl]oxy}-14,16-dihydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-3-{[(4ξ)-6-Désoxy-4-O-(β-D-xylopyranosyl)-L-xylo-hexopyranosyl]oxy}-14,16-dihydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[[(4ξ)-6-deoxy-4-O-β-D-xylopyranosyl-L-xylo-hexopyranosyl]oxy]-14,16-dihydroxy-19-oxo-, (3β,5β)- [ACD/Index Name]
99520-71-5 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 897.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 148.2±6.0 kJ/mol
Flash Point: 281.8±27.8 °C
Index of Refraction: 1.635
Molar Refractivity: 164.5±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.53
ACD/LogD (pH 5.5): -1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.86
ACD/LogD (pH 7.4): -1.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.86
Polar Surface Area: 222 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 77.3±5.0 dyne/cm
Molar Volume: 459.6±5.0 cm3

Click to predict properties on the Chemicalize site


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