ChemSpider 2D Image | (2R,3R,4S)-3-Acetamido-4-[({2-[(carboxymethyl)amino]-2-oxoethyl}carbamoyl)amino]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid | C16H24N4O11

(2R,3R,4S)-3-Acetamido-4-[({2-[(carboxymethyl)amino]-2-oxoethyl}carbamoyl)amino]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid

  • Molecular FormulaC16H24N4O11
  • Average mass448.382 Da
  • Monoisotopic mass448.144165 Da
  • ChemSpider ID28519591

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2R,3R,4S)-3-Acetamido-4-[({2-[(carboxymethyl)amino]-2-oxoethyl}carbamoyl)amino]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carbonsäure [German] [ACD/IUPAC Name]
(2R,3R,4S)-3-Acetamido-4-[({2-[(carboxymethyl)amino]-2-oxoethyl}carbamoyl)amino]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid [ACD/IUPAC Name]
Acide (2R,3R,4S)-3-acétamido-4-[({2-[(carboxyméthyl)amino]-2-oxoéthyl}carbamoyl)amino]-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyrane-6-carboxylique [French] [ACD/IUPAC 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: 1126.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 187.4±6.0 kJ/mol
Flash Point: 634.8±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 98.3±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -4.84
ACD/LogD (pH 5.5): -8.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 244 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 92.0±5.0 dyne/cm
Molar Volume: 277.5±5.0 cm3

Click to predict properties on the Chemicalize site


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