ChemSpider 2D Image | (1Z)-N-[(2Z,3S,4R,5R,6S)-4,5-Dihydroxy-6-(hydroxymethyl)-2-{[hydroxy(phenylimino)methoxy]imino}tetrahydro-2H-pyran-3-yl]ethanimidic acid (non-preferred name) | C15H19N3O7

(1Z)-N-[(2Z,3S,4R,5R,6S)-4,5-Dihydroxy-6-(hydroxymethyl)-2-{[hydroxy(phenylimino)methoxy]imino}tetrahydro-2H-pyran-3-yl]ethanimidic acid (non-preferred name)

  • Molecular FormulaC15H19N3O7
  • Average mass353.327 Da
  • Monoisotopic mass353.122314 Da
  • ChemSpider ID57643573

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1Z)-N-[(2Z,3S,4R,5R,6S)-4,5-Dihydroxy-6-(hydroxymethyl)-2-{[hydroxy(phenylimino)methoxy]imino}tetrahydro-2H-pyran-3-yl]ethanimidic acid (non-preferred name) [ACD/IUPAC Name]
(1Z)-N-[(2Z,3S,4R,5R,6S)-4,5-Dihydroxy-6-(hydroxymethyl)-2-{[hydroxy(phenylimino)methoxy]imino}tetrahydro-2H-pyran-3-yl]ethanimidsäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (1Z)-N-[(2Z,3S,4R,5R,6S)-4,5-dihydroxy-6-(hydroxyméthyl)-2-{[hydroxy(phénylimino)méthoxy]imino}tétrahydro-2H-pyran-3-yl]éthanimidique (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 609.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 322.5±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 82.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 0.86
ACD/LogD (pH 5.5): -2.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 61.2±7.0 dyne/cm
Molar Volume: 229.7±7.0 cm3

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