ChemSpider 2D Image | 2-[6-[4-[[2-amino-3-[[1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]triazol-4-yl]methoxy]-2-[[1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]triazol-4-yl]methoxymethyl]propoxy]methyl]triazol-1-yl]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol | C49H80N10O33

2-[6-[4-[[2-amino-3-[[1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]triazol-4-yl]methoxy]-2-[[1-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]triazol-4-yl]methoxymethyl]propoxy]methyl]triazol-1-yl]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

  • Molecular FormulaC49H80N10O33
  • Average mass1337.207 Da
  • Monoisotopic mass1336.488892 Da
  • ChemSpider ID35035480

  • defined stereocentres - 30 of 30 defined stereocentres

More details:

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

4S0
Dendron D2-1

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.792
Molar Refractivity: 272.6±0.5 cm3
#H bond acceptors: 43
#H bond donors: 23
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 3
ACD/LogP: -11.08
ACD/LogD (pH 5.5): -12.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 654 Å2
Polarizability: 108.1±0.5 10-24cm3
Surface Tension: 102.6±7.0 dyne/cm
Molar Volume: 642.6±7.0 cm3

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