ChemSpider 2D Image | (2S,3R,4S,5R,6R)-6-{[2-(Diphenylmethoxy)ethyl](dimethyl)ammonio}-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate (non-preferred name) | C23H29NO7

(2S,3R,4S,5R,6R)-6-{[2-(Diphenylmethoxy)ethyl](dimethyl)ammonio}-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate (non-preferred name)

  • Molecular FormulaC23H29NO7
  • Average mass431.479 Da
  • Monoisotopic mass431.194397 Da
  • ChemSpider ID128924532

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,3R,4S,5R,6R)-6-{[2-(Diphenylmethoxy)ethyl](dimethyl)ammonio}-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylat (non-preferred name) [German] [ACD/IUPAC Name]
(2S,3R,4S,5R,6R)-6-{[2-(Diphenylmethoxy)ethyl](dimethyl)ammonio}-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate (non-preferred name) [ACD/IUPAC Name]
(2S,3R,4S,5R,6R)-6-{[2-(Diphénylméthoxy)éthyl](diméthyl)ammonio}-3,4,5-trihydroxytétrahydro-2H-pyrane-2-carboxylate (non-preferred name) [French] [ACD/IUPAC Name]
137908-78-2 [RN]
Ethanaminium, 2-(diphenylmethoxy)-N-β-D-glucopyranuronosyl-N,N-dimethyl-, inner salt

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): -1.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.51
ACD/LogD (pH 7.4): -1.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.51
Polar Surface Area: 119 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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