Found 33 results

Search term: MF = 'C_{27}H_{29}ClN_{6}O_{5}'
ChemSpider 2D Image | 7-{6-[(3-Chlorobenzyl)amino]-9-[(1S,2R,3S,4R,5R)-3,4-dihydroxy-5-(methylcarbamoyl)bicyclo[3.1.0]hex-2-yl]-9H-purin-2-yl}-6-heptynoic acid | C27H29ClN6O5

7-{6-[(3-Chlorobenzyl)amino]-9-[(1S,2R,3S,4R,5R)-3,4-dihydroxy-5-(methylcarbamoyl)bicyclo[3.1.0]hex-2-yl]-9H-purin-2-yl}-6-heptynoic acid

  • Molecular FormulaC27H29ClN6O5
  • Average mass553.009 Da
  • Monoisotopic mass552.188782 Da
  • ChemSpider ID24633167

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

6-Heptynoic acid, 7-[6-[[(3-chlorophenyl)methyl]amino]-9-[(1S,2R,3S,4R,5R)-3,4-dihydroxy-5-[(methylamino)carbonyl]bicyclo[3.1.0]hex-2-yl]-9H-purin-2-yl]- [ACD/Index Name]
7-{6-[(3-Chlorbenzyl)amino]-9-[(1S,2R,3S,4R,5R)-3,4-dihydroxy-5-(methylcarbamoyl)bicyclo[3.1.0]hex-2-yl]-9H-purin-2-yl}-6-heptinsäure [German] [ACD/IUPAC Name]
7-{6-[(3-Chlorobenzyl)amino]-9-[(1S,2R,3S,4R,5R)-3,4-dihydroxy-5-(methylcarbamoyl)bicyclo[3.1.0]hex-2-yl]-9H-purin-2-yl}-6-heptynoic acid [ACD/IUPAC Name]
Acide 7-{6-[(3-chlorobenzyl)amino]-9-[(1S,2R,3S,4R,5R)-3,4-dihydroxy-5-(méthylcarbamoyl)bicyclo[3.1.0]hex-2-yl]-9H-purin-2-yl}-6-heptynoïque [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.727
Molar Refractivity: 142.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.54
ACD/LogD (pH 5.5): 0.60
ACD/BCF (pH 5.5): 1.04
ACD/KOC (pH 5.5): 20.53
ACD/LogD (pH 7.4): -1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 162 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 65.6±7.0 dyne/cm
Molar Volume: 358.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement