ChemSpider 2D Image | (2S)-2-[({(2R,3R,4S)-3-Acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-yl}carbonyl)amino]-4-methylpentanoic acid | C17H28N2O9

(2S)-2-[({(2R,3R,4S)-3-Acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-yl}carbonyl)amino]-4-methylpentanoic acid

  • Molecular FormulaC17H28N2O9
  • Average mass404.412 Da
  • Monoisotopic mass404.179474 Da
  • ChemSpider ID29395010

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2S)-2-[({(2R,3R,4S)-3-Acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-yl}carbonyl)amino]-4-methylpentanoic acid [ACD/IUPAC Name]
(2S)-2-[({(2R,3R,4S)-3-Acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-yl}carbonyl)amino]-4-methylpentansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-[({(2R,3R,4S)-3-acétamido-4-hydroxy-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-yl}carbonyl)amino]-4-méthylpentanoïque [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 869.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.6±6.0 kJ/mol
Flash Point: 479.8±34.3 °C
Index of Refraction: 1.580
Molar Refractivity: 95.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -2.69
ACD/LogD (pH 5.5): -4.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 70.2±5.0 dyne/cm
Molar Volume: 286.2±5.0 cm3

Click to predict properties on the Chemicalize site


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