ChemSpider 2D Image | Methyl 5-(2-chloro-1-{[(1-methyl-4-propyl-2-piperidinyl)carbonyl]amino}propyl)-2-O-phosphono-1-thiopentopyranoside | C19H36ClN2O8PS

Methyl 5-(2-chloro-1-{[(1-methyl-4-propyl-2-piperidinyl)carbonyl]amino}propyl)-2-O-phosphono-1-thiopentopyranoside

  • Molecular FormulaC19H36ClN2O8PS
  • Average mass518.990 Da
  • Monoisotopic mass518.161865 Da
  • ChemSpider ID21172963

More details:

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

246-433-0 [EINECS]
24729-96-2 [RN]
5-(2-Chloro-1-{[(1-méthyl-4-propyl-2-pipéridinyl)carbonyl]amino}propyl)-2-O-phosphono-1-thiopentopyranoside de méthyle [French] [ACD/IUPAC Name]
Methyl 5-(2-chloro-1-{[(1-methyl-4-propyl-2-piperidinyl)carbonyl]amino}propyl)-2-O-phosphono-1-thiopentopyranoside [ACD/IUPAC Name]
Methyl-5-(2-chlor-1-{[(1-methyl-4-propyl-2-piperidinyl)carbonyl]amino}propyl)-2-O-phosphono-1-thiopentopyranosid [German] [ACD/IUPAC Name]
Octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-[[(1-methyl-4-propyl-2-piperidinyl)carbonyl]amino]-1-thio-, 2-(dihydrogen phosphate) [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.573
Molar Refractivity: 122.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.50
ACD/LogD (pH 5.5): -1.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 184 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 372.1±5.0 cm3

Click to predict properties on the Chemicalize site


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