ChemSpider 2D Image | (3R,4S,5S,6S)-6-Carboxy-N-[2-(diphenylmethoxy)ethyl]-3,4,5-trihydroxy-N,N-dimethyltetrahydro-2H-pyran-2-aminium (non-preferred name) | C23H30NO7

(3R,4S,5S,6S)-6-Carboxy-N-[2-(diphenylmethoxy)ethyl]-3,4,5-trihydroxy-N,N-dimethyltetrahydro-2H-pyran-2-aminium (non-preferred name)

  • Molecular FormulaC23H30NO7
  • Average mass432.486 Da
  • Monoisotopic mass432.201691 Da
  • ChemSpider ID35031959

  • Charge - Charge

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3R,4S,5S,6S)-6-Carboxy-N-[2-(diphenylmethoxy)ethyl]-3,4,5-trihydroxy-N,N-dimethyltetrahydro-2H-pyran-2-aminium (non-preferred name) [German] [ACD/IUPAC Name]
(3R,4S,5S,6S)-6-Carboxy-N-[2-(diphenylmethoxy)ethyl]-3,4,5-trihydroxy-N,N-dimethyltetrahydro-2H-pyran-2-aminium (non-preferred name) [ACD/IUPAC Name]
(3R,4S,5S,6S)-6-Carboxy-N-[2-(diphénylméthoxy)éthyl]-3,4,5-trihydroxy-N,N-diméthyltétrahydro-2H-pyran-2-aminium (non-preferred name) [French] [ACD/IUPAC Name]
(3R,4S,5S,6S)-6-carboxy-N-[2-(diphenylmethoxy)ethyl]-3,4,5-trihydroxy-N,N-dimethyloxan-2-aminium
Diphenhydramine N-glucuronide

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: 116 Å2
Polarizability:
Surface Tension:
Molar Volume:

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