ChemSpider 2D Image | (2R,3R,4S,5R)-2-{[(2S,3R,4S,5S)-4,5-Dihydroxy-2-{[(3R,4S,5R)-5-hydroxy-2-{[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18R,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methyl-1-propen-1-yl)-19,21-dioxahexacyclo [18.2.1.0~1,14~.0~2,11~.0~5,10~.0~15,20~]tricos-7-yl]oxy}-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-4-yl]methyl}-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihyd roxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-3-yl]oxy}tetrahydro-2H-pyran-2,3,4,5-tetrol (non-preferred name) | C59H96O26

(2R,3R,4S,5R)-2-{[(2S,3R,4S,5S)-4,5-Dihydroxy-2-{[(3R,4S,5R)-5-hydroxy-2-{[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18R,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methyl-1-propen-1-yl)-19,21-dioxahexacyclo [18.2.1.01,14.02,11.05,10.015,20]tricos-7-yl]oxy}-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-4-yl]methyl}-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihyd roxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-3-yl]oxy}tetrahydro-2H-pyran-2,3,4,5-tetrol (non-preferred name)

  • Molecular FormulaC59H96O26
  • Average mass1221.378 Da
  • Monoisotopic mass1220.619019 Da
  • ChemSpider ID101935800

  • defined stereocentres - 32 of 34 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.645
Molar Refractivity: 294.1±0.4 cm3
#H bond acceptors: 26
#H bond donors: 15
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 20.05
ACD/KOC (pH 5.5): 297.47
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 20.00
ACD/KOC (pH 7.4): 296.72
Polar Surface Area: 405 Å2
Polarizability: 116.6±0.5 10-24cm3
Surface Tension: 83.2±5.0 dyne/cm
Molar Volume: 811.0±5.0 cm3

Click to predict properties on the Chemicalize site


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