Found 1 result

Search term: C[C@@]12[C@@](C(C=C3C2CC[C@@]4(C)[C@@]3(O)CC[C@@H]4[C@](C)([C@H](O)CCC(C)(O)C)O)=O)([H])C[C@@H](O[C@@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@@H]6[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O6)O5)[C@@H](O)C1 (Found by conversion of search term to chemical structure (connectivity match))

ChemSpider 2D Image | (2beta,3beta,9xi,20S,22R)-2,14,20,22,25-Pentahydroxy-6-oxocholest-7-en-3-yl 6-O-alpha-D-galactopyranosyl-D-galactopyranoside | C39H64O17

(2β,3β,9ξ,20S,22R)-2,14,20,22,25-Pentahydroxy-6-oxocholest-7-en-3-yl 6-O-α-D-galactopyranosyl-D-galactopyranoside

  • Molecular FormulaC39H64O17
  • Average mass804.915 Da
  • Monoisotopic mass804.414368 Da
  • ChemSpider ID9962340
  • defined stereocentres - 17 of 20 defined stereocentres


More details:






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

(2β,3β,9ξ,20S,22R)-2,14,20,22,25-Pentahydroxy-6-oxocholest-7-en-3-yl 6-O-α-D-galactopyranosyl-D-galactopyranoside [ACD/IUPAC Name]
(2β,3β,9ξ,20S,22R)-2,14,20,22,25-Pentahydroxy-6-oxocholest-7-en-3-yl-6-O-α-D-galactopyranosyl-D-galactopyranosid [German] [ACD/IUPAC Name]
6-O-α-D-Galactopyranosyl-D-galactopyranoside de (2β,3β,9ξ,20S,22R)-2,14,20,22,25-pentahydroxy-6-oxocholest-7-én-3-yle [French] [ACD/IUPAC Name]
Cholest-7-en-6-one, 3-[(6-O-α-D-galactopyranosyl-D-galactopyranosyl)oxy]-2,14,20,22,25-pentahydroxy-, (2β,3β,9ξ,20S,22R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 1034.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 171.3±6.0 kJ/mol
Flash Point: 310.6±27.8 °C
Index of Refraction: 1.639
Molar Refractivity: 195.3±0.4 cm3
#H bond acceptors: 17
#H bond donors: 12
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -2.72
ACD/LogD (pH 5.5): -2.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.15
ACD/LogD (pH 7.4): -2.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.15
Polar Surface Area: 297 Å2
Polarizability: 77.4±0.5 10-24cm3
Surface Tension: 83.1±5.0 dyne/cm
Molar Volume: 542.8±5.0 cm3

Click to predict properties on the Chemicalize site






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