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Search term: VWLUCMUVYLUCLC-SDYBAOGSSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | [2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-[4-[[2-[5-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxypentanoylamino]acetyl]amino]butanoyloxy]-2-[4-[[2-[5-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxypentanoylamino]acetyl]amino]butanoyloxymethyl]propyl] 4-[[2-[5-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxypentanoylamino]acetyl]amino]butanoate | C65H104N8O33

[2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-[4-[[2-[5-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxypentanoylamino]acetyl]amino]butanoyloxy]-2-[4-[[2-[5-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxypentanoylamino]acetyl]amino]butanoyloxymethyl]propyl] 4-[[2-[5-[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxypentanoylamino]acetyl]amino]butanoate

  • Molecular FormulaC65H104N8O33
  • Average mass1525.555 Da
  • Monoisotopic mass1524.670532 Da
  • ChemSpider ID30845011
  • defined stereocentres - 15 of 15 defined stereocentres


More details:






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

Density: 1.5±0.1 g/cm3
Boiling Point: 1698.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 282.3±3.0 kJ/mol
Flash Point: 980.9±34.3 °C
Index of Refraction: 1.610
Molar Refractivity: 359.9±0.4 cm3
#H bond acceptors: 41
#H bond donors: 20
#Freely Rotating Bonds: 54
#Rule of 5 Violations: 3
ACD/LogP: -8.21
ACD/LogD (pH 5.5): -7.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 619 Å2
Polarizability: 142.7±0.5 10-24cm3
Surface Tension: 83.2±5.0 dyne/cm
Molar Volume: 1038.2±5.0 cm3

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