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

(6R)-5-Acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-6-[(1R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonic acid

  • Molecular FormulaC12H20N4O7
  • Average mass332.310 Da
  • Monoisotopic mass332.133209 Da
  • ChemSpider ID26329480
  • defined stereocentres - 4 of 5 defined stereocentres


More details:






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

(6R)-5-Acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-6-[(1R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonic acid [ACD/IUPAC Name]
(6R)-5-Acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-tridesoxy-6-[(1R)-1,2,3-trihydroxypropyl]-L-threo-hex-2-enonsäure [German] [ACD/IUPAC Name]
Acide (6R)-5-acétamido-2,6-anhydro-4-carbamimidamido-3,4,5-tridésoxy-6-[(1R)-1,2,3-trihydroxypropyl]-L-thréo-hex-2-énonique [French] [ACD/IUPAC Name]
D-galacto-Non-2-enonic acid, 5-(acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-, (8ξ)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 725.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 121.0±6.0 kJ/mol
Flash Point: 392.5±35.7 °C
Index of Refraction: 1.679
Molar Refractivity: 71.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -3.10
ACD/LogD (pH 5.5): -5.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 77.4±7.0 dyne/cm
Molar Volume: 189.6±7.0 cm3

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