ChemSpider 2D Image | 1,4:3,6-Dianhydro-2-O-(5-{4-[4-(butyrylamino)-1-piperidinyl]phenyl}-6-chloro-3H-imidazo[4,5-b]pyridin-2-yl)-D-threo-hexitol | C27H32ClN5O5

1,4:3,6-Dianhydro-2-O-(5-{4-[4-(butyrylamino)-1-piperidinyl]phenyl}-6-chloro-3H-imidazo[4,5-b]pyridin-2-yl)-D-threo-hexitol

  • Molecular FormulaC27H32ClN5O5
  • Average mass542.026 Da
  • Monoisotopic mass541.209167 Da
  • ChemSpider ID76801266

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

1,4:3,6-Dianhydro-2-O-(5-{4-[4-(butyrylamino)-1-piperidinyl]phenyl}-6-chlor-3H-imidazo[4,5-b]pyridin-2-yl)-D-threo-hexitol [German] [ACD/IUPAC Name]
1,4:3,6-Dianhydro-2-O-(5-{4-[4-(butyrylamino)-1-piperidinyl]phenyl}-6-chloro-3H-imidazo[4,5-b]pyridin-2-yl)-D-threo-hexitol [ACD/IUPAC Name]
1,4:3,6-Dianhydro-2-O-(5-{4-[4-(butyrylamino)-1-pipéridinyl]phényl}-6-chloro-3H-imidazo[4,5-b]pyridin-2-yl)-D-thréo-hexitol [French] [ACD/IUPAC Name]
D-threo-Hexitol, 1,4:3,6-dianhydro-2-O-[6-chloro-5-[4-[4-[(1-oxobutyl)amino]-1-piperidinyl]phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]- [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: 1.675
Molar Refractivity: 141.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 39.25
ACD/KOC (pH 5.5): 471.89
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 31.61
ACD/KOC (pH 7.4): 380.09
Polar Surface Area: 122 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 76.1±5.0 dyne/cm
Molar Volume: 375.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement