ChemSpider 2D Image | (6R)-5-Acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-6-{(1R,2R)-1-[({3-[(3,4-dihydroxybenzoyl)oxy]propyl}carbamoyl)oxy]-2,3-dihydroxypropyl}-L-threo-hex-2-enonic acid | C23H31N5O12

(6R)-5-Acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-6-{(1R,2R)-1-[({3-[(3,4-dihydroxybenzoyl)oxy]propyl}carbamoyl)oxy]-2,3-dihydroxypropyl}-L-threo-hex-2-enonic acid

  • Molecular FormulaC23H31N5O12
  • Average mass569.518 Da
  • Monoisotopic mass569.196899 Da
  • ChemSpider ID28650126

  • defined stereocentres - 5 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,2R)-1-[({3-[(3,4-dihydroxybenzoyl)oxy]propyl}carbamoyl)oxy]-2,3-dihydroxypropyl}-L-threo-hex-2-enonic acid [ACD/IUPAC Name]
(6R)-5-Acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-tridesoxy-6-{(1R,2R)-1-[({3-[(3,4-dihydroxybenzoyl)oxy]propyl}carbamoyl)oxy]-2,3-dihydroxypropyl}-L-threo-hex-2-enonsäure [German] [ACD/IUPAC Name]
Acide (6R)-5-acétamido-2,6-anhydro-4-carbamimidamido-3,4,5-tridésoxy-6-{(1R,2R)-1-[({3-[(3,4-dihydroxybenzoyl)oxy]propyl}carbamoyl)oxy]-2,3-dihydroxypropyl}-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-, 7-[[3-[(3,4-dihydroxybenzoyl)oxy]propyl]carbamate] [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: 1.660
Molar Refractivity: 128.1±0.5 cm3
#H bond acceptors: 17
#H bond donors: 11
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -1.13
ACD/LogD (pH 5.5): -3.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 283 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 71.1±7.0 dyne/cm
Molar Volume: 346.9±7.0 cm3

Click to predict properties on the Chemicalize site


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