Found 1 result

Search term: [C@@H]1([C@]2([C@@H](C[C@H]([C@H]1O)O)C(=O)C=C1[C@@H]2CC[C@]2([C@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O[C@@H]1C(C([C@H](C(O1)CO)O)O)O)O)O)C)C)O (Found by conversion of search term to chemical structure (connectivity match))
ChemSpider 2D Image | (1beta,2beta,3beta,5beta,14xi,22R)-1,2,3,14,20,25-Hexahydroxy-6-oxocholest-7-en-22-yl alpha-D-galactopyranoside | C33H54O13

(1β,2β,3β,5β,14ξ,22R)-1,2,3,14,20,25-Hexahydroxy-6-oxocholest-7-en-22-yl α-D-galactopyranoside

  • Molecular FormulaC33H54O13
  • Average mass658.774 Da
  • Monoisotopic mass658.356445 Da
  • ChemSpider ID170053

  • defined stereocentres - 15 of 16 defined stereocentres

More details:

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

(1β,2β,3β,5β,14ξ,22R)-1,2,3,14,20,25-Hexahydroxy-6-oxocholest-7-en-22-yl α-D-galactopyranoside [ACD/IUPAC Name]
(1β,2β,3β,5β,14ξ,22R)-1,2,3,14,20,25-Hexahydroxy-6-oxocholest-7-en-22-yl-α-D-galactopyranosid [German] [ACD/IUPAC Name]
Cholest-7-en-6-one, 22-(α-D-galactopyranosyloxy)-1,2,3,14,20,25-hexahydroxy-, (1β,2β,3β,5β,14ξ,22R)- [ACD/Index Name]
α-D-Galactopyranoside de (1β,2β,3β,5β,14ξ,22R)-1,2,3,14,20,25-hexahydroxy-6-oxocholest-7-én-22-yle [French] [ACD/IUPAC Name]
83207-65-2 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 889.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.8±6.0 kJ/mol
Flash Point: 277.8±27.8 °C
Index of Refraction: 1.632
Molar Refractivity: 163.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 10
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.57
ACD/LogD (pH 5.5): -1.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.43
ACD/LogD (pH 7.4): -1.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.43
Polar Surface Area: 238 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 78.7±5.0 dyne/cm
Molar Volume: 457.1±5.0 cm3

Click to predict properties on the Chemicalize site


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