ChemSpider 2D Image | (5alpha,6alpha,25S)-3-Oxospirostan-6-yl 6-deoxy-beta-D-glucopyranoside | C33H52O8

(5α,6α,25S)-3-Oxospirostan-6-yl 6-deoxy-β-D-glucopyranoside

  • Molecular FormulaC33H52O8
  • Average mass576.761 Da
  • Monoisotopic mass576.366211 Da
  • ChemSpider ID115284710

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(5α,6α,25S)-3-Oxospirostan-6-yl 6-deoxy-β-D-glucopyranoside [ACD/IUPAC Name]
(5α,6α,25S)-3-Oxospirostan-6-yl-6-desoxy-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-β-D-glucopyranoside de (5α,6α,25S)-3-oxospirostan-6-yle [French] [ACD/IUPAC Name]
Spirostan-3-one, 6-[(6-deoxy-β-D-glucopyranosyl)oxy]-, (5α,6α,25S)- [ACD/Index Name]
(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13R,18S,19S)-5',7,9,13-tetramethyl-19-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-one
(25S)-6α-[6-Deoxy-β-D-glucopyranosyloxy]-5α-spirostane-3-one
184686-03-1 [RN]
Solagenin 6-O-??-D-quinovopyranoside

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

Density: 1.3±0.1 g/cm3
Boiling Point: 690.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.6±6.0 kJ/mol
Flash Point: 214.7±25.0 °C
Index of Refraction: 1.577
Molar Refractivity: 152.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 675.73
ACD/KOC (pH 5.5): 3691.08
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 675.73
ACD/KOC (pH 7.4): 3691.06
Polar Surface Area: 115 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 54.2±5.0 dyne/cm
Molar Volume: 458.3±5.0 cm3

Click to predict properties on the Chemicalize site


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