ChemSpider 2D Image | (2R,3R,4S,5S,6S)-6-Carboxy-N-(2-{4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy}ethyl)-3,4,5-trihydroxy-N,N-dimethyltetrahydro-2H-pyran-2-aminium | C32H38NO7

(2R,3R,4S,5S,6S)-6-Carboxy-N-(2-{4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy}ethyl)-3,4,5-trihydroxy-N,N-dimethyltetrahydro-2H-pyran-2-aminium

  • Molecular FormulaC32H38NO7
  • Average mass548.646 Da
  • Monoisotopic mass548.264282 Da
  • ChemSpider ID4574296

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3R,4S,5S,6S)-6-Carboxy-N-(2-{4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy}ethyl)-3,4,5-trihydroxy-N,N-dimethyltetrahydro-2H-pyran-2-aminium [ACD/IUPAC Name]
(2R,3R,4S,5S,6S)-6-Carboxy-N-(2-{4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy}ethyl)-3,4,5-trihydroxy-N,N-dimethyltetrahydro-2H-pyran-2-aminium [German] [ACD/IUPAC Name]
(2R,3R,4S,5S,6S)-6-Carboxy-N-(2-{4-[(1Z)-1,2-diphényl-1-butén-1-yl]phénoxy}éthyl)-3,4,5-trihydroxy-N,N-diméthyltétrahydro-2H-pyran-2-aminium [French] [ACD/IUPAC Name]
(2R,3R,4S,5S,6S)-6-carboxy-N-(2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)-3,4,5-trihydroxy-N,N-dimethyloxan-2-aminium
N-(2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)-N,N-dimethyl-β-D-glucopyranuronosylaminium
tamoxifen N-glucuronide
tamoxifen N-β-D-glucosiduronic acid
Tamoxifen-N-glucuronide

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

CHEBI:32663 [DBID]

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: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 2.85
ACD/KOC (pH 5.5): 108.97
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 2.85
ACD/KOC (pH 7.4): 109.01
Polar Surface Area: 116 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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