ChemSpider 2D Image | (3beta,16alpha,17beta)-16-Hydroxy-17-{(1S)-1-[(2R,5S)-5-methyl-2-piperidinyl]ethyl}androst-5-en-3-yl beta-D-glucopyranoside | C33H55NO7

(3β,16α,17β)-16-Hydroxy-17-{(1S)-1-[(2R,5S)-5-methyl-2-piperidinyl]ethyl}androst-5-en-3-yl β-D-glucopyranoside

  • Molecular FormulaC33H55NO7
  • Average mass577.792 Da
  • Monoisotopic mass577.397827 Da
  • ChemSpider ID10183546
  • defined stereocentres - 16 of 16 defined stereocentres


More details:






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

(3β,16α,17β)-16-Hydroxy-17-{(1S)-1-[(2R,5S)-5-methyl-2-piperidinyl]ethyl}androst-5-en-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,16α,17β)-16-Hydroxy-17-{(1S)-1-[(2R,5S)-5-methyl-2-piperidinyl]ethyl}androst-5-en-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
(3β,16α,17β)-16-hydroxy-17-{(1S)-1-[(2R,5S)-5-methylpiperidin-2-yl]ethyl}androst-5-en-3-yl β-D-glucopyranoside
β-D-Glucopyranoside de (3β,16α,17β)-16-hydroxy-17-{(1S)-1-[(2R,5S)-5-méthyl-2-pipéridinyl]éthyl}androst-5-én-3-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (3β,16α,17β)-16-hydroxy-17-[(1S)-1-[(2R,5S)-5-methyl-2-piperidinyl]ethyl]androst-5-en-3-yl [ACD/Index Name]
107585-56-8 [RN]
capsicastrine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 718.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.0±6.0 kJ/mol
Flash Point: 388.5±32.9 °C
Index of Refraction: 1.593
Molar Refractivity: 156.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.22
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.82
Polar Surface Area: 132 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 463.0±5.0 cm3

Click to predict properties on the Chemicalize site






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