ChemSpider 2D Image | [(5R,6R,7R,8S)-8-Acetamido-6,7-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid | C12H17N3O6

[(5R,6R,7R,8S)-8-Acetamido-6,7-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid

  • Molecular FormulaC12H17N3O6
  • Average mass299.280 Da
  • Monoisotopic mass299.111725 Da
  • ChemSpider ID23314877

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(5R,6R,7R,8S)-8-(acetylamino)-6,7-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid
[(5R,6R,7R,8S)-8-Acetamido-6,7-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]acetic acid [ACD/IUPAC Name]
[(5R,6R,7R,8S)-8-Acetamido-6,7-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]essigsäure [German] [ACD/IUPAC Name]
Acide [(5R,6R,7R,8S)-8-acétamido-6,7-dihydroxy-5-(hydroxyméthyl)-5,6,7,8-tétrahydroimidazo[1,2-a]pyridin-2-yl]acétique [French] [ACD/IUPAC Name]
Imidazo[1,2-a]pyridine-2-acetic acid, 8-(acetylamino)-5,6,7,8-tetrahydro-6,7-dihydroxy-5-(hydroxymethyl)-, (5R,6R,7R,8S)- [ACD/Index Name]
2-((5R,6R,7R,8S)-8-acetamido-6,7-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)acetic acid
N-[(5R,6R,7R,8S)-5,6,7,8-tetrahydro-6,7-dihydroxy-5-(hydroxylmetyl)2-(2-acetic acid)imidazo[1,2-a]pyridine-8-yl]-acetyl

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

Density: 1.7±0.1 g/cm3
Boiling Point: 761.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.3±3.0 kJ/mol
Flash Point: 414.1±32.9 °C
Index of Refraction: 1.718
Molar Refractivity: 67.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -3.24
ACD/LogD (pH 5.5): -4.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 76.5±7.0 dyne/cm
Molar Volume: 171.9±7.0 cm3

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