ChemSpider 2D Image | (2R,3R,4S,5R)-3-Hydroxy-2-({2-hydroxy-3-[(1E)-N-methoxyethanimidoyl]-8-methyl-4-oxo-4H-chromen-7-yl}oxy)-5-methoxy-1-oxaspiro[5.5]undec-4-yl (2-propyn-1-yloxy)carbamate | C28H34N2O11

(2R,3R,4S,5R)-3-Hydroxy-2-({2-hydroxy-3-[(1E)-N-methoxyethanimidoyl]-8-methyl-4-oxo-4H-chromen-7-yl}oxy)-5-methoxy-1-oxaspiro[5.5]undec-4-yl (2-propyn-1-yloxy)carbamate

  • Molecular FormulaC28H34N2O11
  • Average mass574.576 Da
  • Monoisotopic mass574.216248 Da
  • ChemSpider ID23141523

  • 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 (2R,3R,4S,5R)-3-hydroxy-2-({2-hydroxy-3-[(1E)-N-méthoxyethanimidoyl]-8-méthyl-4-oxo-4H-chromén-7-yl}oxy)-5-méthoxy-1-oxaspiro[5.5]undéc-4-yle [French] [ACD/IUPAC Name]
(2R,3R,4S,5R)-3-Hydroxy-2-({2-hydroxy-3-[(1E)-N-methoxyethanimidoyl]-8-methyl-4-oxo-4H-chromen-7-yl}oxy)-5-methoxy-1-oxaspiro[5.5]undec-4-yl (2-propyn-1-yloxy)carbamate [ACD/IUPAC Name]
(2R,3R,4S,5R)-3-Hydroxy-2-({2-hydroxy-3-[(1E)-N-methoxyethanimidoyl]-8-methyl-4-oxo-4H-chromen-7-yl}oxy)-5-methoxy-1-oxaspiro[5.5]undec-4-yl-(2-propin-1-yloxy)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-(2-propyn-1-yloxy)-, (2R,3R,4S,5R)-3-hydroxy-2-[[2-hydroxy-3-[(1E)-1-(methoxyimino)ethyl]-8-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy]-5-methoxy-1-oxaspiro[5.5]undec-4-yl ester [ACD/Index Name]
(2R,3R,4S,5R)-3-hydroxy-2-({2-hydroxy-3-[(1E)-1-(methoxyimino)ethyl]-8-methyl-4-oxo-4H-chromen-7-yl}oxy)-5-methoxy-1-oxaspiro[5.5]undecan-4-yl N-(prop-2-yn-1-yloxy)carbamate

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: 1.594
Molar Refractivity: 140.2±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 9.58
ACD/KOC (pH 5.5): 88.83
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.53
Polar Surface Area: 164 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 413.4±7.0 cm3

Click to predict properties on the Chemicalize site


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