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Search term: SJQZYUVEDZXHKI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (7R,8R,9S,10R)-8-Hydroxy-7-{[2-hydroxy-3-(isobutyrylamino)-8-methyl-4-oxo-4H-chromen-7-yl]oxy}-10-methoxy-6-oxaspiro[4.5]dec-9-yl (2-propyn-1-yloxy)carbamate | C28H34N2O11

(7R,8R,9S,10R)-8-Hydroxy-7-{[2-hydroxy-3-(isobutyrylamino)-8-methyl-4-oxo-4H-chromen-7-yl]oxy}-10-methoxy-6-oxaspiro[4.5]dec-9-yl (2-propyn-1-yloxy)carbamate

  • Molecular FormulaC28H34N2O11
  • Average mass574.576 Da
  • Monoisotopic mass574.216248 Da
  • ChemSpider ID8026813

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2-Propyn-1-yloxy)carbamate de (7R,8R,9S,10R)-8-hydroxy-7-{[2-hydroxy-3-(isobutyrylamino)-8-méthyl-4-oxo-4H-chromén-7-yl]oxy}-10-méthoxy-6-oxaspiro[4.5]déc-9-yle [French] [ACD/IUPAC Name]
(7R,8R,9S,10R)-8-Hydroxy-7-{[2-hydroxy-3-(isobutyrylamino)-8-methyl-4-oxo-4H-chromen-7-yl]oxy}-10-methoxy-6-oxaspiro[4.5]dec-9-yl (2-propyn-1-yloxy)carbamate [ACD/IUPAC Name]
(7R,8R,9S,10R)-8-Hydroxy-7-{[2-hydroxy-3-(isobutyrylamino)-8-methyl-4-oxo-4H-chromen-7-yl]oxy}-10-methoxy-6-oxaspiro[4.5]dec-9-yl-(2-propin-1-yloxy)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-(2-propyn-1-yloxy)-, (7R,8R,9S,10R)-8-hydroxy-7-[[2-hydroxy-8-methyl-3-[(2-methyl-1-oxopropyl)amino]-4-oxo-4H-1-benzopyran-7-yl]oxy]-10-methoxy-6-oxaspiro[4.5]dec-9-yl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.606
Molar Refractivity: 140.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.86
ACD/KOC (pH 5.5): 29.54
ACD/LogD (pH 7.4): -0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 66.4±5.0 dyne/cm
Molar Volume: 408.2±5.0 cm3

Click to predict properties on the Chemicalize site


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