ChemSpider 2D Image | (3beta,5alpha,17beta)-6-Oxocevan-3-yl beta-D-glucopyranoside | C33H53NO7

(3β,5α,17β)-6-Oxocevan-3-yl β-D-glucopyranoside

  • Molecular FormulaC33H53NO7
  • Average mass575.776 Da
  • Monoisotopic mass575.382202 Da
  • ChemSpider ID167045

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

(3β,5α,17β)-6-Oxocevan-3-yl β-D-glucopyranoside [ACD/IUPAC Name]
(3β,5α,17β)-6-Oxocevan-3-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
98985-24-1 [RN]
Cevan-6-one, 3-(β-D-glucopyranosyloxy)-, (3β,5α,17β)- [ACD/Index Name]
β-D-Glucopyranoside de (3β,5α,17β)-6-oxocévan-3-yle [French] [ACD/IUPAC Name]
(1R,2S,6S,9S,10R,11R,14S,15S,18S,20S,23R,24S)-6,10,23-trimethyl-20-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
150134-44-4 [RN]
Cevan-6-one, 3-(β-D-glucopyranosyloxy)-, (3β,5α,17β,22β)- [ACD/Index Name]
Yibeinoside A
Yibeinoside B

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

Density: 1.3±0.1 g/cm3
Boiling Point: 714.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.3±6.0 kJ/mol
Flash Point: 385.9±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 153.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.25
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.11
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.85
Polar Surface Area: 120 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 450.2±5.0 cm3

Click to predict properties on the Chemicalize site


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