ChemSpider 2D Image | 3,4,5-Trihydroxy-6-{[(3Z)-3-(10-hydroxy-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)propyl](dimethyl)ammonio}tetrahydro-2H-pyran-2-carboxylate (non-preferred name) | C26H31NO7

3,4,5-Trihydroxy-6-{[(3Z)-3-(10-hydroxy-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)propyl](dimethyl)ammonio}tetrahydro-2H-pyran-2-carboxylate (non-preferred name)

  • Molecular FormulaC26H31NO7
  • Average mass469.527 Da
  • Monoisotopic mass469.210052 Da
  • ChemSpider ID120331393

  • Double-bond stereo - Double-bond stereo

More details:

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

3,4,5-Trihydroxy-6-{[(3Z)-3-(10-hydroxy-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yliden)propyl](dimethyl)ammonio}tetrahydro-2H-pyran-2-carboxylat (non-preferred name) [German] [ACD/IUPAC Name]
3,4,5-Trihydroxy-6-{[(3Z)-3-(10-hydroxy-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)propyl](dimethyl)ammonio}tetrahydro-2H-pyran-2-carboxylate (non-preferred name) [ACD/IUPAC Name]
3,4,5-Trihydroxy-6-{[(3Z)-3-(10-hydroxy-10,11-dihydro-5H-dibenzo[a,d][7]annulén-5-ylidène)propyl](diméthyl)ammonio}tétrahydro-2H-pyrane-2-carboxylate (non-preferred name) [French] [ACD/IUPAC Name]

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: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.21
ACD/LogD (pH 5.5): -1.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.59
ACD/LogD (pH 7.4): -1.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.59
Polar Surface Area: 130 Å2
Polarizability:
Surface Tension:
Molar Volume:

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