Found 33 results

Search term: MF = 'C_{27}H_{29}ClN_{6}O_{5}'
ChemSpider 2D Image | 1,4:3,6-Dianhydro-2-O-(6-chloro-5-{4-[2-(2-hydroxy-2-methylpropyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]phenyl}-3H-imidazo[4,5-b]pyridin-2-yl)-D-mannitol | C27H29ClN6O5

1,4:3,6-Dianhydro-2-O-(6-chloro-5-{4-[2-(2-hydroxy-2-methylpropyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]phenyl}-3H-imidazo[4,5-b]pyridin-2-yl)-D-mannitol

  • Molecular FormulaC27H29ClN6O5
  • Average mass553.009 Da
  • Monoisotopic mass552.188782 Da
  • ChemSpider ID88298370

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,4:3,6-Dianhydro-2-O-(6-chlor-5-{4-[2-(2-hydroxy-2-methylpropyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]phenyl}-3H-imidazo[4,5-b]pyridin-2-yl)-D-mannitol [German] [ACD/IUPAC Name]
1,4:3,6-Dianhydro-2-O-(6-chloro-5-{4-[2-(2-hydroxy-2-methylpropyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]phenyl}-3H-imidazo[4,5-b]pyridin-2-yl)-D-mannitol [ACD/IUPAC Name]
1,4:3,6-Dianhydro-2-O-(6-chloro-5-{4-[2-(2-hydroxy-2-méthylpropyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]phényl}-3H-imidazo[4,5-b]pyridin-2-yl)-D-mannitol [French] [ACD/IUPAC Name]
D-Mannitol, 1,4:3,6-dianhydro-2-O-[6-chloro-5-[4-[2,6-dihydro-2-(2-hydroxy-2-methylpropyl)pyrrolo[3,4-c]pyrazol-5(4H)-yl]phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]- [ACD/Index Name]
SA2

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.777
Molar Refractivity: 139.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 25.79
ACD/KOC (pH 5.5): 352.34
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 13.97
ACD/KOC (pH 7.4): 190.88
Polar Surface Area: 131 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 67.5±7.0 dyne/cm
Molar Volume: 334.3±7.0 cm3

Click to predict properties on the Chemicalize site


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