ChemSpider 2D Image | (2r,3r,4r)-3-Acetamido-4-Carbamimidamido-5-Fluoranyl-2-[(1r,2r)-1,2,3-Tris(Oxidanyl)propyl]-3,4-Dihydro-2h-Pyran-6-Carboxylic Acid | C12H19FN4O7

(2r,3r,4r)-3-Acetamido-4-Carbamimidamido-5-Fluoranyl-2-[(1r,2r)-1,2,3-Tris(Oxidanyl)propyl]-3,4-Dihydro-2h-Pyran-6-Carboxylic Acid

  • Molecular FormulaC12H19FN4O7
  • Average mass350.300 Da
  • Monoisotopic mass350.123779 Da
  • ChemSpider ID35034711

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2r,3r,4r)-3-Acetamido-4-Carbamimidamido-5-Fluoranyl-2-[(1r,2r)-1,2,3-Tris(Oxidanyl)propyl]-3,4-Dihydro-2h-Pyran-6-Carboxylic Acid
(6R)-5-Acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-6-[(1R,2R)-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-3-fluor-6-[(1R,2R)-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-3-fluoro-6-[(1R,2R)-1,2,3-trihydroxypropyl]-L-thréo-hex-2-énonique [French] [ACD/IUPAC Name]
D-glycero-D-galacto-Non-2-enonic acid, 5-(acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-3-fluoro- [ACD/Index Name]
ZGE

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: 1.664
Molar Refractivity: 71.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -3.29
ACD/LogD (pH 5.5): -5.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 198 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 72.9±7.0 dyne/cm
Molar Volume: 192.5±7.0 cm3

Click to predict properties on the Chemicalize site


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