ChemSpider 2D Image | (6R)-5-Acetamido-2,6-anhydro-3,4,5-trideoxy-4-{[diamino(~11~C)methylene]amino}-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonic acid | C1111CH20N4O7

(6R)-5-Acetamido-2,6-anhydro-3,4,5-trideoxy-4-{[diamino(11C)methylene]amino}-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonic acid

  • Molecular FormulaC1111CH20N4O7
  • Average mass331.310 Da
  • Monoisotopic mass331.144623 Da
  • ChemSpider ID8910572

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(6R)-5-Acetamido-2,6-anhydro-3,4,5-trideoxy-4-{[diamino(11C)methylene]amino}-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonic acid [ACD/IUPAC Name]
(6R)-5-Acetamido-2,6-anhydro-3,4,5-tridesoxy-4-{[diamino(11C)methylen]amino}-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonsäure [German] [ACD/IUPAC Name]
Acide (6R)-5-acétamido-2,6-anhydro-3,4,5-tridésoxy-4-{[diamino(11C)méthylène]amino}-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-thréo-hex-2-énonique [French] [ACD/IUPAC Name]
D-glycero-D-galacto-Non-2-enonic acid, 5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-4-[(diaminomethylene-11C)amino]- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.679
Molar Refractivity: 71.6±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 77.4±7.0 dyne/cm
Molar Volume: 189.6±7.0 cm3

Click to predict properties on the Chemicalize site


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