ChemSpider 2D Image | (2R)-6-Amino-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]acetyl}amino)hexanoic acid | C14H26N2O8

(2R)-6-Amino-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]acetyl}amino)hexanoic acid

  • Molecular FormulaC14H26N2O8
  • Average mass350.365 Da
  • Monoisotopic mass350.168915 Da
  • ChemSpider ID23135069

  • defined stereocentres - 1 of 6 defined stereocentres

More details:

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

(2R)-6-Amino-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]acetyl}amino)hexanoic acid [ACD/IUPAC Name]
(2R)-6-Amino-2-({[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]acetyl}amino)hexansäure [German] [ACD/IUPAC Name]
Acide (2R)-6-amino-2-({2-[3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]acétyl}amino)hexanoïque [French] [ACD/IUPAC Name]
6-Amino-2-[2-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-acetylamino]-hexanoic acid
CHEMBL436156

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

Density: 1.4±0.1 g/cm3
Boiling Point: 709.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.1 mmHg at 25°C
Enthalpy of Vaporization: 118.5±6.0 kJ/mol
Flash Point: 382.6±32.9 °C
Index of Refraction: 1.570
Molar Refractivity: 81.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -2.51
ACD/LogD (pH 5.5): -4.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 66.9±3.0 dyne/cm
Molar Volume: 248.3±3.0 cm3

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