ChemSpider 2D Image | (5xi,6S)-5-Acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-erythro-hexonic acid | C12H22N4O7

(5ξ,6S)-5-Acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-erythro-hexonic acid

  • Molecular FormulaC12H22N4O7
  • Average mass334.326 Da
  • Monoisotopic mass334.148834 Da
  • ChemSpider ID71360753

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(5ξ,6S)-5-Acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-erythro-hexonic acid [ACD/IUPAC Name]
(5ξ,6S)-5-Acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-tridesoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-erythro-hexonsäure [German] [ACD/IUPAC Name]
Acide (5ξ,6S)-5-acétamido-2,6-anhydro-4-carbamimidamido-3,4,5-tridésoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-érythro-hexonique [French] [ACD/IUPAC Name]
D-glycero-D-manno-Nononic acid, 5-(acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-, (5ξ)- [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: 11
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -4.11
ACD/LogD (pH 5.5): -6.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 198 Å2
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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