ChemSpider 2D Image | (6R)-5-Acetamido-2,6-anhydro-4-(carbamimidoylammonio)-3,4,5-trideoxy-6-[(1S)-1,2,3-trihydroxypropyl]hex-2-enonate | C12H20N4O7

(6R)-5-Acetamido-2,6-anhydro-4-(carbamimidoylammonio)-3,4,5-trideoxy-6-[(1S)-1,2,3-trihydroxypropyl]hex-2-enonate

  • Molecular FormulaC12H20N4O7
  • Average mass332.310 Da
  • Monoisotopic mass332.133209 Da
  • ChemSpider ID23242011
  • defined stereocentres - 1 of 5 defined stereocentres


More details:






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

(6R)-5-Acetamido-2,6-anhydro-4-(carbamimidoylammonio)-3,4,5-trideoxy-6-[(1S)-1,2,3-trihydroxypropyl]hex-2-enonate [ACD/IUPAC Name]
(6R)-5-Acetamido-2,6-anhydro-4-(carbamimidoylammonio)-3,4,5-tridesoxy-6-[(1S)-1,2,3-trihydroxypropyl]hex-2-enonat [German] [ACD/IUPAC Name]
(6R)-5-Acétamido-2,6-anhydro-4-(carbamimidoylammonio)-3,4,5-tridésoxy-6-[(1S)-1,2,3-trihydroxypropyl]hex-2-énonate [French] [ACD/IUPAC Name]
L-erythro-Non-2-enonic acid, 5-(acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy- [ACD/Index Name]
(2R)-4-[(diaminomethylidene)azaniumyl]-3-acetamido-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylate

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 9
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -3.63
ACD/LogD (pH 5.5): -5.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 205 Å2
Polarizability:
Surface Tension:
Molar Volume:

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