Found 1 result

Search term: WLFSVWBINOGDFX-PARYEQGPSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R,3R,4R,5S,6R)-3-Acetamido-5-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-(hydroxymethyl)-4-({(2R,5S)-5-methyl-3,6,17-trioxo-21-[(3aS,4S,6aR)-2-oxohe xahydro-1H-thieno[3,4-d]imidazol-4-yl]-10,13-dioxa-4,7,16-triazahenicosan-2-yl}oxy)tetrahydro-2H-pyran-2-yl (2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z)-3,7,11,15,19,23,27,31,35,39,43-undecamethyl-2,6,10,1 4,18,22,26,30,34,38,42-tetratetracontaundecaen-1-yl dihydrogen diphosphate (non-preferred name) | C93H155N7O23P2S

(2R,3R,4R,5S,6R)-3-Acetamido-5-{[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-6-(hydroxymethyl)-4-({(2R,5S)-5-methyl-3,6,17-trioxo-21-[(3aS,4S,6aR)-2-oxohe xahydro-1H-thieno[3,4-d]imidazol-4-yl]-10,13-dioxa-4,7,16-triazahenicosan-2-yl}oxy)tetrahydro-2H-pyran-2-yl (2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z)-3,7,11,15,19,23,27,31,35,39,43-undecamethyl-2,6,10,1 4,18,22,26,30,34,38,42-tetratetracontaundecaen-1-yl dihydrogen diphosphate (non-preferred name)

  • Molecular FormulaC93H155N7O23P2S
  • Average mass1833.271 Da
  • Monoisotopic mass1832.036987 Da
  • ChemSpider ID59053875

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 15 of 15 defined stereocentres

More details:

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

α-D-Glucopyranose, 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]-2-deoxy-3-O-[(1R,4S)-20-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1,4-dimethyl-2,5,16-tr ioxo-9,12-dioxa-3,6,15-triazaeicos-1-yl]-1-O-[hydroxy[[hydroxy[[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z)-3,7,11,15,19,23,27,31,35,39,43-undecamethyl-2,6,10,14,18,22,26,30,34,38,42-tetratetracontaundeca en-1-yl]oxy]phosphinyl]oxy]phosphinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.566
Molar Refractivity: 493.3±0.4 cm3
#H bond acceptors: 30
#H bond donors: 13
#Freely Rotating Bonds: 62
#Rule of 5 Violations: 4
ACD/LogP: 17.78
ACD/LogD (pH 5.5): 9.03
ACD/BCF (pH 5.5): 360411.34
ACD/KOC (pH 5.5): 17448.63
ACD/LogD (pH 7.4): 9.03
ACD/BCF (pH 7.4): 355745.84
ACD/KOC (pH 7.4): 17222.73
Polar Surface Area: 470 Å2
Polarizability: 195.6±0.5 10-24cm3
Surface Tension: 56.3±5.0 dyne/cm
Molar Volume: 1511.5±5.0 cm3

Click to predict properties on the Chemicalize site


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