ChemSpider 2D Image | (6R)-5-Acetamido-2,6-anhydro-4-(~13~C,N',N''-~15~N_2_)carbamimidamido-3,4,5-trideoxy-6-[(1S,2R)-2,3-dihydroxy-1-methoxypropyl]-L-threo-hex-2-enonic acid | C1213CH22N215N2O7

(6R)-5-Acetamido-2,6-anhydro-4-(13C,N',N''-15N2)carbamimidamido-3,4,5-trideoxy-6-[(1S,2R)-2,3-dihydroxy-1-methoxypropyl]-L-threo-hex-2-enonic acid

  • Molecular FormulaC1213CH22N215N2O7
  • Average mass349.316 Da
  • Monoisotopic mass349.146271 Da
  • ChemSpider ID76920421
  • 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-4-(13C,N',N''-15N2)carbamimidamido-3,4,5-trideoxy-6-[(1S,2R)-2,3-dihydroxy-1-methoxypropyl]-L-threo-hex-2-enonic acid [ACD/IUPAC Name]
(6R)-5-Acetamido-2,6-anhydro-4-(13C,N',N''-15N2)carbamimidamido-3,4,5-tridesoxy-6-[(1S,2R)-2,3-dihydroxy-1-methoxypropyl]-L-threo-hex-2-enonsäure [German] [ACD/IUPAC Name]
Acide (6R)-5-acétamido-2,6-anhydro-4-(13C,N',N''-15N2)carbamimidamido-3,4,5-tridésoxy-6-[(1S,2R)-2,3-dihydroxy-1-méthoxypropyl]-L-thréo-hex-2-énonique [French] [ACD/IUPAC Name]
D-glycero-L-altro-Non-2-enonic acid, 5-(acetylamino)-4-[(amino-15Nimino-15N-methyl-13C)amino]-2,6-anhydro-3,4,5-trideoxy-7-O-methyl- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.634
Molar Refractivity: 76.5±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: 30.3±0.5 10-24cm3
Surface Tension: 64.7±7.0 dyne/cm
Molar Volume: 214.0±7.0 cm3

Click to predict properties on the Chemicalize site






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