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Search term: CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](OCCO[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@]12C)OCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)OCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 2-{[(3alpha,5alpha,7alpha,8alpha,12alpha,14beta,17alpha)-3,12-Bis(2-{[4-O-(alpha-D-glucopyranosyl)-beta-D-glucopyranosyl]oxy}ethoxy)cholan-7-yl]oxy}ethyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranos ide | C66H114O36

2-{[(3α,5α,7α,8α,12α,14β,17α)-3,12-Bis(2-{[4-O-(α-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}ethoxy)cholan-7-yl]oxy}ethyl 4-O-α-D-glucopyranosyl-β-D-glucopyranos ide

  • Molecular FormulaC66H114O36
  • Average mass1483.590 Da
  • Monoisotopic mass1482.708984 Da
  • ChemSpider ID26354003

  • defined stereocentres - 41 of 41 defined stereocentres

More details:

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

2-{[(3α,5α,7α,8α,12α,14β,17α)-3,12-Bis(2-{[4-O-(α-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}ethoxy)cholan-7-yl]oxy}ethyl 4-O-α-D-glucopyranosyl-β-D-glucopyranos ide [ACD/IUPAC Name]
2-{[(3α,5α,7α,8α,12α,14β,17α)-3,12-Bis(2-{[4-O-(α-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}ethoxy)cholan-7-yl]oxy}ethyl-4-O-α-D-glucopyranosyl-β-D-glucopyranos id [German] [ACD/IUPAC Name]
4-O-α-D-Glucopyranosyl-β-D-glucopyranoside de 2-{[(3α,5α,7α,8α,12α,14β,17α)-3,12-bis(2-{[4-O-(α-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}éthoxy)cholan-7-yl]oxy }éthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-[[(3α,5α,7α,8α,12α,14β,17α)-3,12-bis[2-[(4-O-α-D-glucopyranosyl-β-D-glucopyranosyl)oxy]ethoxy]cholan-7-yl]oxy]ethyl 4-O-α-D-glucopyranos yl- [ACD/Index Name]
2-{[(3α,5β,7α,12α)-3,12-Bis(2-{[4-O-(α-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}ethoxy)cholan-7-yl]oxy}ethyl 4-O-α-D-glucopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
2-{[(3α,5β,7α,12α)-3,12-Bis(2-{[4-O-(α-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}ethoxy)cholan-7-yl]oxy}ethyl-4-O-α-D-glucopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-O-α-D-Glucopyranosyl-β-D-glucopyranoside de 2-{[(3α,5β,7α,12α)-3,12-bis(2-{[4-O-(α-D-glucopyranosyl)-β-D-glucopyranosyl]oxy}éthoxy)cholan-7-yl]oxy}éthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-[[(3α,5β,7α,12α)-3,12-bis[2-[(4-O-α-D-glucopyranosyl-β-D-glucopyranosyl)oxy]ethoxy]cholan-7-yl]oxy]ethyl 4-O-α-D-glucopyranosyl- [ACD/Index Name]

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: 1.639
Molar Refractivity: 344.8±0.4 cm3
#H bond acceptors: 36
#H bond donors: 21
#Freely Rotating Bonds: 51
#Rule of 5 Violations: 3
ACD/LogP: -3.68
ACD/LogD (pH 5.5): -3.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 563 Å2
Polarizability: 136.7±0.5 10-24cm3
Surface Tension: 90.6±5.0 dyne/cm
Molar Volume: 957.8±5.0 cm3

Click to predict properties on the Chemicalize site


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