ChemSpider 2D Image | (1E)-N-[(2R,3R,4R,5R,6R)-4-{[(2R,3R,4S,5S,6R)-6-Carboxy-5-ethyl-3,4-dihydroxytetrahydro-2H-pyran-2-yl]methoxy}-6-(hydroxymethyl)-2-methoxy-5-(sulfooxy)tetrahydro-2H-pyran-3-yl]ethanimidate (non-prefer red name) | C18H30NO14S

(1E)-N-[(2R,3R,4R,5R,6R)-4-{[(2R,3R,4S,5S,6R)-6-Carboxy-5-ethyl-3,4-dihydroxytetrahydro-2H-pyran-2-yl]methoxy}-6-(hydroxymethyl)-2-methoxy-5-(sulfooxy)tetrahydro-2H-pyran-3-yl]ethanimidate (non-prefer red name)

  • Molecular FormulaC18H30NO14S
  • Average mass516.495 Da
  • Monoisotopic mass516.139221 Da
  • ChemSpider ID30780115

  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1E)-N-[(2R,3R,4R,5R,6R)-4-{[(2R,3R,4S,5S,6R)-6-Carboxy-5-ethyl-3,4-dihydroxytetrahydro-2H-pyran-2-yl]methoxy}-6-(hydroxymethyl)-2-methoxy-5-(sulfooxy)tetrahydro-2H-pyran-3-yl]ethanimidat (non-preferr ed name) [German] [ACD/IUPAC Name]
(1E)-N-[(2R,3R,4R,5R,6R)-4-{[(2R,3R,4S,5S,6R)-6-Carboxy-5-ethyl-3,4-dihydroxytetrahydro-2H-pyran-2-yl]methoxy}-6-(hydroxymethyl)-2-methoxy-5-(sulfooxy)tetrahydro-2H-pyran-3-yl]ethanimidate (non-prefer red name) [ACD/IUPAC Name]
(1E)-N-[(2R,3R,4R,5R,6R)-4-{[(2R,3R,4S,5S,6R)-6-Carboxy-5-éthyl-3,4-dihydroxytétrahydro-2H-pyran-2-yl]méthoxy}-6-(hydroxyméthyl)-2-méthoxy-5-(sulfooxy)tétrahydro-2H-pyran-3-yl]éthanimidate (non-prefer red name) [French] [ACD/IUPAC Name]
(2R,3R,4R,5R,6R)-4-{[(2R,3R,4S,5S,6R)-6-carboxy-5-ethyl-3,4-dihydroxyoxan-2-yl]methoxy}-5-acetamido-2-(hydroxymethyl)-6-methoxyoxan-3-yl sulfate
Dermatan

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: 15
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -0.32
ACD/LogD (pH 5.5): -5.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 242 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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