ChemSpider 2D Image | [5-(3,4,5-Trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2,3-O-1,1-cyclopentanediyl-5-thio-5-S-1H-1,2,4-triazol-5-yl-beta-D-ribofuranoside | C24H29N5O8S

[5-(3,4,5-Trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2,3-O-1,1-cyclopentanediyl-5-thio-5-S-1H-1,2,4-triazol-5-yl-β-D-ribofuranoside

  • Molecular FormulaC24H29N5O8S
  • Average mass547.581 Da
  • Monoisotopic mass547.173706 Da
  • ChemSpider ID76799341

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[5-(3,4,5-Trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2,3-O-1,1-cyclopentanediyl-5-thio-5-S-1H-1,2,4-triazol-5-yl-β-D-ribofuranoside [ACD/IUPAC Name]
[5-(3,4,5-Trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl-2,3-O-1,1-cyclopentandiyl-5-thio-5-S-1H-1,2,4-triazol-5-yl-β-D-ribofuranosid [German] [ACD/IUPAC Name]
2,3-O-1,1-Cyclopentanediyl-5-thio-5-S-1H-1,2,4-triazol-5-yl-β-D-ribofuranoside de [5-(3,4,5-triméthoxyphényl)-1,2,4-oxadiazol-3-yl]méthyle [French] [ACD/IUPAC Name]
β-D-Ribofuranoside, [5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 2,3-O-cyclopentylidene-5-thio-5-S-1H-1,2,4-triazol-5-yl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 759.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.7±3.0 kJ/mol
Flash Point: 413.4±35.7 °C
Index of Refraction: 1.633
Molar Refractivity: 132.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 149.96
ACD/KOC (pH 5.5): 1256.35
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 147.06
ACD/KOC (pH 7.4): 1232.08
Polar Surface Area: 170 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 76.6±5.0 dyne/cm
Molar Volume: 371.3±5.0 cm3

Click to predict properties on the Chemicalize site


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