ChemSpider 2D Image | (2S)-2-({[3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]acetyl}amino)pentanedioic acid | C13H21NO10

(2S)-2-({[3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]acetyl}amino)pentanedioic acid

  • Molecular FormulaC13H21NO10
  • Average mass351.306 Da
  • Monoisotopic mass351.116547 Da
  • ChemSpider ID23134707

  • defined stereocentres - 1 of 6 defined stereocentres

More details:

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

(2S)-2-({[3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]acetyl}amino)pentandisäure [German] [ACD/IUPAC Name]
(2S)-2-({[3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]acetyl}amino)pentanedioic acid [ACD/IUPAC Name]
Acide (2S)-2-({2-[3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]acétyl}amino)pentanedioïque [French] [ACD/IUPAC Name]
(2S)-2-{2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamido}pentanedioic acid
2-[2-(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-acetylamino]-pentanedioic acid
CHEMBL287836

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

Density: 1.6±0.1 g/cm3
Boiling Point: 758.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.8 mmHg at 25°C
Enthalpy of Vaporization: 126.1±6.0 kJ/mol
Flash Point: 412.8±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 74.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -3.33
ACD/LogD (pH 5.5): -5.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 194 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 78.6±3.0 dyne/cm
Molar Volume: 222.7±3.0 cm3

Click to predict properties on the Chemicalize site


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