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Search term: KGVLFEPQSVUIRC-FYQNUYSYSA-L (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 3-O-[(1Z,2R)-1-{[(1Z,2S)-1-{[(1Z,2R)-1-{[(1S)-5-Amino-1,5-dicarboxypentyl]imino}-4-carboxy-1-hydroxy-2-butanyl]imino}-1-hydroxy-2-propanyl]imino}-1-hydroxy-2-propanyl]-1,5-anhydro-2-deoxy-2-[(Z)-(1-hy
droxyethylidene)amino]-D-glucitol | C26H43N5O14

3-O-[(1Z,2R)-1-{[(1Z,2S)-1-{[(1Z,2R)-1-{[(1S)-5-Amino-1,5-dicarboxypentyl]imino}-4-carboxy-1-hydroxy-2-butanyl]imino}-1-hydroxy-2-propanyl]imino}-1-hydroxy-2-propanyl]-1,5-anhydro-2-deoxy-2-[(Z)-(1-hy droxyethylidene)amino]-D-glucitol

  • Molecular FormulaC26H43N5O14
  • Average mass649.645 Da
  • Monoisotopic mass649.280640 Da
  • ChemSpider ID59695453
  • defined stereocentres - 8 of 9 defined stereocentres


More details:






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

3-O-[(1Z,2R)-1-{[(1Z,2S)-1-{[(1Z,2R)-1-{[(1S)-5-Amino-1,5-dicarboxypentyl]imino}-4-carboxy-1-hydroxy-2-butanyl]imino}-1-hydroxy-2-propanyl]imino}-1-hydroxy-2-propanyl]-1,5-anhydro-2-deoxy-2-[(Z)-(1-hy droxyethylidene)amino]-D-glucitol [ACD/IUPAC Name]
3-O-[(1Z,2R)-1-{[(1Z,2S)-1-{[(1Z,2R)-1-{[(1S)-5-Amino-1,5-dicarboxypentyl]imino}-4-carboxy-1-hydroxy-2-butanyl]imino}-1-hydroxy-2-propanyl]imino}-1-hydroxy-2-propanyl]-1,5-anhydro-2-desoxy-2-[(Z)-(1-h ydroxyethyliden)amino]-D-glucitol [German] [ACD/IUPAC Name]
3-O-[(1Z,2R)-1-{[(1Z,2S)-1-{[(1Z,2R)-1-{[(1S)-5-Amino-1,5-dicarboxypentyl]imino}-4-carboxy-1-hydroxy-2-butanyl]imino}-1-hydroxy-2-propanyl]imino}-1-hydroxy-2-propanyl]-1,5-anhydro-2-désoxy-2-[(Z)-(1-h ydroxyéthylidène)amino]-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 3-O-[(1R,2Z)-2-[[(1S,2Z)-2-[[(1R)-1-[(Z)-[[(1S)-5-amino-1,5-dicarboxypentyl]imino]hydroxymethyl]-3-carboxypropyl]imino]-2-hydroxy-1-methylethyl]imino]-2-hydroxy-1-methylethyl]-1,5-anhydro- 2-deoxy-2-[[(1Z)-1-hydroxyethylidene]amino]- [ACD/Index Name]
1,6-Anhydrous-N-Acetylmuramyl-tripeptide

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

Density: 1.6±0.1 g/cm3
Boiling Point: 969.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 160.2±6.0 kJ/mol
Flash Point: 540.3±37.1 °C
Index of Refraction: 1.624
Molar Refractivity: 146.4±0.5 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 0.04
ACD/LogD (pH 5.5): -5.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 327 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 64.0±7.0 dyne/cm
Molar Volume: 414.9±7.0 cm3

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