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

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

  • Molecular FormulaC12H20N4O7
  • Average mass332.310 Da
  • Monoisotopic mass332.133209 Da
  • ChemSpider ID23161995
  • defined stereocentres - 3 of 5 defined stereocentres


More details:





Date of deprecation: 10:10, Aug 26, 2015
Reason for deprecation: Deprecate record: there are no supporting data sources.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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]-L-threo-hex-2-enonate [ACD/IUPAC Name]
(6R)-5-Acetamido-2,6-anhydro-4-(carbamimidoylammonio)-3,4,5-tridesoxy-6-[(1S)-1,2,3-trihydroxypropyl]-L-threo-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]-L-thréo-hex-2-énonate [French] [ACD/IUPAC Name]
L-altro-Non-2-enonic acid, 5-(acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-, (8ξ)- [ACD/Index Name]
4-diaminomethylamino-3-methylcarboxamido-2-(1,2,3-trihydroxypropyl)-(3R)-3,4-dihydro-2H-6-pyrancarboxylic acid

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:

Click to predict properties on the Chemicalize site





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