ChemSpider 2D Image | 3-O-[(1S)-1-Carboxyethyl]-2-deoxy-2-[(Z)-(1-oxidanidylethylidene)amino]-D-glucopyranose | C11H18NO8

3-O-[(1S)-1-Carboxyethyl]-2-deoxy-2-[(Z)-(1-oxidanidylethylidene)amino]-D-glucopyranose

  • Molecular FormulaC11H18NO8
  • Average mass292.263 Da
  • Monoisotopic mass292.103790 Da
  • ChemSpider ID95601444

  • Charge - Charge

    defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(1Z)-N-[(3R,4R,5S,6R)-4-[(1S)-1-Carboxyethoxy]-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]ethanimidat (non-preferred name) [German] [ACD/IUPAC Name]
3-O-[(1S)-1-Carboxyethyl]-2-deoxy-2-[(Z)-(1-oxidanidylethylidene)amino]-D-glucopyranose [ACD/IUPAC Name]
3-O-[(1S)-1-Carboxyéthyl]-2-désoxy-2-[(Z)-(1-oxydanidyléthylidène)amino]-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, 3-O-[(1S)-1-carboxyethyl]-2-deoxy-2-[[(1Z)-1-hydroxyethylidene]amino]-, ion(1-) [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 646.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.3±6.0 kJ/mol
Flash Point: 345.0±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.63
ACD/LogD (pH 5.5): -3.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 152 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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