ChemSpider 2D Image | 3,6-Anhydro-1,2,4,5-tetradeoxy-1-{[3-(1,3-dimethyl-2,6-dioxooctahydro-7H-purin-7-yl)propanoyl]amino}-2-(4-methyl-1-piperidinyl)-3-thiohexitol | C22H38N6O3S

3,6-Anhydro-1,2,4,5-tetradeoxy-1-{[3-(1,3-dimethyl-2,6-dioxooctahydro-7H-purin-7-yl)propanoyl]amino}-2-(4-methyl-1-piperidinyl)-3-thiohexitol

  • Molecular FormulaC22H38N6O3S
  • Average mass466.641 Da
  • Monoisotopic mass466.272614 Da
  • ChemSpider ID113637903

More details:

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

3,6-Anhydro-1,2,4,5-tetradeoxy-1-{[3-(1,3-dimethyl-2,6-dioxooctahydro-7H-purin-7-yl)propanoyl]amino}-2-(4-methyl-1-piperidinyl)-3-thiohexitol [ACD/IUPAC Name]
3,6-Anhydro-1,2,4,5-tetradesoxy-1-{[3-(1,3-dimethyl-2,6-dioxooctahydro-7H-purin-7-yl)propanoyl]amino}-2-(4-methyl-1-piperidinyl)-3-thiohexitol [German] [ACD/IUPAC Name]
3,6-Anhydro-1,2,4,5-tétradésoxy-1-{[3-(1,3-diméthyl-2,6-dioxooctahydro-7H-purin-7-yl)propanoyl]amino}-2-(4-méthyl-1-pipéridinyl)-3-thiohexitol [French] [ACD/IUPAC Name]
Hexitol, 3,6-anhydro-1,2,4,5-tetradeoxy-2-(4-methyl-1-piperidinyl)-1-[[3-(octahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)-1-oxopropyl]amino]-3-thio- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.560
Molar Refractivity: 125.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.27
ACD/LogD (pH 5.5): -2.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.85
Polar Surface Area: 114 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 388.2±3.0 cm3

Click to predict properties on the Chemicalize site


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