ChemSpider 2D Image | (2S)-2-{[(2R,3S,4R,5S)-2,3,4,5,6-Pentahydroxyhexanoyl]amino}pentanedioic acid (non-preferred name) | C11H19NO10

(2S)-2-{[(2R,3S,4R,5S)-2,3,4,5,6-Pentahydroxyhexanoyl]amino}pentanedioic acid (non-preferred name)

  • Molecular FormulaC11H19NO10
  • Average mass325.269 Da
  • Monoisotopic mass325.100891 Da
  • ChemSpider ID77499290

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S)-2-{[(2R,3S,4R,5S)-2,3,4,5,6-Pentahydroxyhexanoyl]amino}pentandisäure (non-preferred name) [German] [ACD/IUPAC Name]
(2S)-2-{[(2R,3S,4R,5S)-2,3,4,5,6-Pentahydroxyhexanoyl]amino}pentanedioic acid (non-preferred name) [ACD/IUPAC Name]
Acide (2S)-2-{[(2R,3S,4R,5S)-2,3,4,5,6-pentahydroxyhexanoyl]amino}pentanedioïque (non-preferred name) [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 928.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 153.2±6.0 kJ/mol
Flash Point: 515.0±34.3 °C
Index of Refraction: 1.607
Molar Refractivity: 67.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -4.14
ACD/LogD (pH 5.5): -6.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 205 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 100.8±3.0 dyne/cm
Molar Volume: 194.7±3.0 cm3

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