ChemSpider 2D Image | 6-{(3Z)-5-Carboxy-3-[hydroxy(methoxy)methylene]-2,6-dimethyl-3,4-dihydro-4-pyridinyl}-6-deoxy-D-galactitol | C16H25NO9

6-{(3Z)-5-Carboxy-3-[hydroxy(methoxy)methylene]-2,6-dimethyl-3,4-dihydro-4-pyridinyl}-6-deoxy-D-galactitol

  • Molecular FormulaC16H25NO9
  • Average mass375.371 Da
  • Monoisotopic mass375.152924 Da
  • ChemSpider ID23166024

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

6-{(3Z)-5-Carboxy-3-[hydroxy(methoxy)methylen]-2,6-dimethyl-3,4-dihydro-4-pyridinyl}-6-desoxy-D-galactitol [German] [ACD/IUPAC Name]
6-{(3Z)-5-Carboxy-3-[hydroxy(methoxy)methylene]-2,6-dimethyl-3,4-dihydro-4-pyridinyl}-6-deoxy-D-galactitol [ACD/IUPAC Name]
6-{(3Z)-5-Carboxy-3-[hydroxy(méthoxy)méthylène]-2,6-diméthyl-3,4-dihydro-4-pyridinyl}-6-désoxy-D-galactitol [French] [ACD/IUPAC Name]
6-{(3Z)-5-carboxy-3-[hydroxy(methoxy)methylidene]-2,6-dimethyl-3,4-dihydropyridin-4-yl}-6-deoxy-D-galactitol
D-Galactitol, 6-[(3Z)-5-carboxy-3,4-dihydro-3-(hydroxymethoxymethylene)-2,6-dimethyl-4-pyridinyl]-6-deoxy- [ACD/Index Name]
2,6-Dimethyl-4-(2,3,4,5,6-pentahydroxy-hexyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid monomethyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL310715/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 748.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.5±6.0 kJ/mol
Flash Point: 406.5±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 84.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -2.84
ACD/LogD (pH 5.5): -3.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 248.5±7.0 cm3

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