Found 1 result

Search term: ZZKVGFZOAZLUDD-RHTHCOFHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Bis[(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl] (1R,2R,3S,4S)-3,4-bis(4-hydroxyphenyl)-1,2-cyclobutanedica rboxylate | C48H56O24

Bis[(1aS,1bS,2S,5aR,6S,6aS)-2-(β-D-glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl] (1R,2R,3S,4S)-3,4-bis(4-hydroxyphenyl)-1,2-cyclobutanedica rboxylate

  • Molecular FormulaC48H56O24
  • Average mass1016.944 Da
  • Monoisotopic mass1016.316162 Da
  • ChemSpider ID29414233

  • defined stereocentres - 26 of 26 defined stereocentres

More details:

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

(1R,2R,3S,4S)-3,4-Bis(4-hydroxyphényl)-1,2-cyclobutanedicarboxylate de bis[(1aS,1bS,2S,5aR,6S,6aS)-2-(β-D-glucopyranosyloxy)-1a-(hydroxyméthyl)-1a,1b,2,5a,6,6a-hexahydrooxiréno[4,5]cyclopenta[1,2-c ]pyran-6-yle] [French] [ACD/IUPAC Name]
1,2-Cyclobutanedicarboxylic acid, 3,4-bis(4-hydroxyphenyl)-, bis[(1aS,1bS,2S,5aR,6S,6aS)-2-(β-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-6-y l] ester, (1R,2R,3S,4S)- [ACD/Index Name]
Bis[(1aS,1bS,2S,5aR,6S,6aS)-2-(β-D-glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl] (1R,2R,3S,4S)-3,4-bis(4-hydroxyphenyl)-1,2-cyclobutanedica rboxylate [ACD/IUPAC Name]
Bis[(1aS,1bS,2S,5aR,6S,6aS)-2-(β-D-glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl]-(1R,2R,3S,4S)-3,4-bis(4-hydroxyphenyl)-1,2-cyclobutandicar boxylat [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.743
Molar Refractivity: 235.2±0.4 cm3
#H bond acceptors: 24
#H bond donors: 12
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -5.69
ACD/LogD (pH 5.5): -4.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 376 Å2
Polarizability: 93.2±0.5 10-24cm3
Surface Tension: 111.1±5.0 dyne/cm
Molar Volume: 581.5±5.0 cm3

Click to predict properties on the Chemicalize site


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