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Search term: C[C@H](C[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(CC[C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C)C)O)O)O)C(C)(C)O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (2beta,3beta,5beta,22R,24R)-2,14,20,22,25-Pentahydroxy-6-oxoergost-7-en-3-yl beta-D-glucopyranoside | C34H56O12

(2β,3β,5β,22R,24R)-2,14,20,22,25-Pentahydroxy-6-oxoergost-7-en-3-yl β-D-glucopyranoside

  • Molecular FormulaC34H56O12
  • Average mass656.801 Da
  • Monoisotopic mass656.377197 Da
  • ChemSpider ID23311575

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

(2β,3β,5β,22R,24R)-2,14,20,22,25-Pentahydroxy-6-oxoergost-7-en-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(2β,3β,5β,22R,24R)-2,14,20,22,25-Pentahydroxy-6-oxoergost-7-en-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Ergost-7-en-6-one, 3-(β-D-glucopyranosyloxy)-2,14,20,22,25-pentahydroxy-, (2β,3β,5β,22R,24R)- [ACD/Index Name]
β-D-Glucopyranoside de (2β,3β,5β,22R,24R)-2,14,20,22,25-pentahydroxy-6-oxoergost-7-én-3-yle [French] [ACD/IUPAC Name]
3-O-(β-D-glucopyranosyl)-2β,3β,14α,20,22R,25-hexahydroxy-24R-methyl-5β-cholest-7-en-6-one
CHEMBL254592
fibraurecdyside A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 882.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.7±6.0 kJ/mol
Flash Point: 274.3±27.8 °C
Index of Refraction: 1.615
Molar Refractivity: 166.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -2.54
ACD/LogD (pH 5.5): -1.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.17
ACD/LogD (pH 7.4): -1.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.17
Polar Surface Area: 218 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 71.6±5.0 dyne/cm
Molar Volume: 475.9±5.0 cm3

Click to predict properties on the Chemicalize site


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