ChemSpider 2D Image | (3beta,5beta,12beta,21Z)-3-{[2,6-Dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-21-(2-furylmethylene)-12,14-dihydroxyc ard-20(22)-enolide | C46H66O15

(3β,5β,12β,21Z)-3-{[2,6-Dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy}-21-(2-furylmethylene)-12,14-dihydroxyc ard-20(22)-enolide

  • Molecular FormulaC46H66O15
  • Average mass859.007 Da
  • Monoisotopic mass858.440186 Da
  • ChemSpider ID17278814

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(3β,5β,12β,21Z)-3-{[2,6-Dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy}-21-(2-furylmethylene)-12,14-dihydroxyc
 ard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,12β,21Z)-3-{[2,6-Didesoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-didesoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-didesoxy-β-D-ribo-hexopyranosyl]oxy}-21-(2-furylmethylen)-12,14-dihydrox
 ycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,12β,21Z)-3-{[2,6-Didésoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-didésoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-didésoxy-β-D-ribo-hexopyranosyl]oxy}-21-(2-furylméthylène)-12,14-dihydro
 xycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[[O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-β-D-ribo-hexopyranosyl]oxy]-21-(2-furanylmethylene)-12,14-dihydrox y-, (3β,5β,12β,21Z)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.618
Molar Refractivity: 217.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 37.56
ACD/KOC (pH 5.5): 466.42
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 37.56
ACD/KOC (pH 7.4): 466.42
Polar Surface Area: 216 Å2
Polarizability: 86.4±0.5 10-24cm3
Surface Tension: 66.5±5.0 dyne/cm
Molar Volume: 621.8±5.0 cm3

Click to predict properties on the Chemicalize site


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