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Search term: HIXBTEQHDWBCIJ-JZCXNSNGSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl {(1R,4Z,8S,13E)-8-{[4,6-dideoxy-4-(hydroxyamino)-beta-D-glucopyranosyl]oxy}-1-hydroxy-13-[2-(methyltrisulfanyl)ethylidene]-11-oxobicyclo[7.3.1]trideca-4,9-diene-2,6-diyn-10-yl}carbamate | C24H28N2O9S3

Methyl {(1R,4Z,8S,13E)-8-{[4,6-dideoxy-4-(hydroxyamino)-β-D-glucopyranosyl]oxy}-1-hydroxy-13-[2-(methyltrisulfanyl)ethylidene]-11-oxobicyclo[7.3.1]trideca-4,9-diene-2,6-diyn-10-yl}carbamate

  • Molecular FormulaC24H28N2O9S3
  • Average mass584.682 Da
  • Monoisotopic mass584.095703 Da
  • ChemSpider ID25061212

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

{(1R,4Z,8S,13E)-8-{[4,6-Didésoxy-4-(hydroxyamino)-β-D-glucopyranosyl]oxy}-1-hydroxy-13-[2-(méthyltrisulfanyl)éthylidène]-11-oxobicyclo[7.3.1]tridéca-4,9-diène-2,6-diyn-10-yl}carbamate de méthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1R,4Z,8S,13E)-8-[[4,6-dideoxy-4-(hydroxyamino)-β-D-glucopyranosyl]oxy]-1-hydroxy-13-[2-(methyltrithio)ethylidene]-11-oxobicyclo[7.3.1]trideca-4,9-diene-2,6-diyn-10-yl]-, methyl e ster [ACD/Index Name]
Methyl {(1R,4Z,8S,13E)-8-{[4,6-dideoxy-4-(hydroxyamino)-β-D-glucopyranosyl]oxy}-1-hydroxy-13-[2-(methyltrisulfanyl)ethylidene]-11-oxobicyclo[7.3.1]trideca-4,9-diene-2,6-diyn-10-yl}carbamate [ACD/IUPAC Name]
Methyl-{(1R,4Z,8S,13E)-8-{[4,6-didesoxy-4-(hydroxyamino)-β-D-glucopyranosyl]oxy}-1-hydroxy-13-[2-(methyltrisulfanyl)ethyliden]-11-oxobicyclo[7.3.1]trideca-4,9-dien-2,6-diin-10-yl}carbamat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.704
Molar Refractivity: 144.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 4
ACD/LogP: 7.94
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3708.66
ACD/KOC (pH 5.5): 12329.06
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1442.82
ACD/KOC (pH 7.4): 4796.51
Polar Surface Area: 243 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 89.0±5.0 dyne/cm
Molar Volume: 373.2±5.0 cm3

Click to predict properties on the Chemicalize site


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