ChemSpider 2D Image | PLERIXAFOR-D4 | C28H50D4N8

PLERIXAFOR-D4

  • Molecular FormulaC28H50D4N8
  • Average mass506.807 Da
  • Monoisotopic mass506.472260 Da
  • ChemSpider ID57530514

  • Non-standard isotope - Non-standard isotope

More details:

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

1,1'-[(2H4)-1,4-Phenylendimethylen]bis(1,4,8,11-tetraazacyclotetradecan) [German] [ACD/IUPAC Name]
1,1'-[(2H4)-1,4-Phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane) [ACD/IUPAC Name]
1,1'-[(2H4)-1,4-Phénylènediméthylène]bis(1,4,8,11-tétraazacyclotétradécane) [French] [ACD/IUPAC Name]
1,4,8,11-Tetraazacyclotetradecane, 1,1'-[1,4-phenylene-d4bis(methylene)]bis- [ACD/Index Name]
1246819-87-3 [RN]
PLERIXAFOR-D4
1-[[2,3,5,6-tetradeuterio-4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane

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

Density: 1.0±0.1 g/cm3
Boiling Point: 657.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 361.8±26.2 °C
Index of Refraction: 1.492
Molar Refractivity: 151.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.20
ACD/LogD (pH 5.5): -5.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 79 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 32.5±3.0 dyne/cm
Molar Volume: 522.2±3.0 cm3

Click to predict properties on the Chemicalize site


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