ChemSpider 2D Image | (7R,8R,9S,10R)-8-Hydroxy-10-methoxy-7-({(3E)-3-[1-(methoxyamino)ethylidene]-8-methyl-2,4-dioxo-3,4-dihydro-2H-chromen-7-yl}oxy)-6-oxaspiro[4.5]dec-9-yl (2-propyn-1-yloxy)carbamate | C27H32N2O11

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

  • Molecular FormulaC27H32N2O11
  • Average mass560.550 Da
  • Monoisotopic mass560.200623 Da
  • ChemSpider ID8026494

  • Double-bond stereo - Double-bond stereo

    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-10-méthoxy-7-({(3E)-3-[1-(méthoxyamino)éthylidène]-8-méthyl-2,4-dioxo-3,4-dihydro-2H-chromén-7-yl}oxy)-6-oxaspiro[4.5]déc-9-yle [French] [ACD/IUPAC Name]
(7R,8R,9S,10R)-8-Hydroxy-10-methoxy-7-({(3E)-3-[1-(methoxyamino)ethyliden]-8-methyl-2,4-dioxo-3,4-dihydro-2H-chromen-7-yl}oxy)-6-oxaspiro[4.5]dec-9-yl-(2-propin-1-yloxy)carbamat [German] [ACD/IUPAC Name]
(7R,8R,9S,10R)-8-Hydroxy-10-methoxy-7-({(3E)-3-[1-(methoxyamino)ethylidene]-8-methyl-2,4-dioxo-3,4-dihydro-2H-chromen-7-yl}oxy)-6-oxaspiro[4.5]dec-9-yl (2-propyn-1-yloxy)carbamate [ACD/IUPAC Name]
Carbamic acid, N-(2-propyn-1-yloxy)-, (7R,8R,9S,10R)-7-[[(3E)-3,4-dihydro-3-[1-(methoxyamino)ethylidene]-8-methyl-2,4-dioxo-2H-1-benzopyran-7-yl]oxy]-8-hydroxy-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, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.597
Molar Refractivity: 136.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.16
ACD/KOC (pH 5.5): 498.07
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.16
ACD/KOC (pH 7.4): 498.06
Polar Surface Area: 160 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 63.6±5.0 dyne/cm
Molar Volume: 400.2±5.0 cm3

Click to predict properties on the Chemicalize site


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