ChemSpider 2D Image | 2-Methoxy-4-[(Z)-(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside | C26H30N2O12

2-Methoxy-4-[(Z)-(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC26H30N2O12
  • Average mass562.523 Da
  • Monoisotopic mass562.179871 Da
  • ChemSpider ID8546063

  • 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

2,3,4,6-Tétra-O-acétyl-β-D-glucopyranoside de 2-méthoxy-4-[(Z)-(3-méthyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidène)méthyl]phényle [French] [ACD/IUPAC Name]
2-Methoxy-4-[(Z)-(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-yliden)methyl]phenyl-2,3,4,6-tetra-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-Methoxy-4-[(Z)-(3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
3H-Pyrazol-3-one, 2,4-dihydro-4-[[3-methoxy-4-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]phenyl]methylene]-5-methyl-, (4Z)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.582
Molar Refractivity: 133.7±0.5 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.13
ACD/KOC (pH 5.5): 195.28
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.12
ACD/KOC (pH 7.4): 195.09
Polar Surface Area: 174 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 400.9±7.0 cm3

Click to predict properties on the Chemicalize site


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