ChemSpider 2D Image | N-({2-[(5-Carbamoyl-1H-benzimidazol-2-yl)methyl]-1-methyl-1H-benzimidazol-6-yl}carbonyl)-3-phosphono-L-alanine | C21H21N6O7P

N-({2-[(5-Carbamoyl-1H-benzimidazol-2-yl)methyl]-1-methyl-1H-benzimidazol-6-yl}carbonyl)-3-phosphono-L-alanine

  • Molecular FormulaC21H21N6O7P
  • Average mass500.401 Da
  • Monoisotopic mass500.120941 Da
  • ChemSpider ID32702234

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

263870-19-5 [RN]
Cyclo[N-({2-[(5-carbamoyl-1H-benzimidazol-2-yl)methyl]-1-methyl-1H-benzimidazol-6-yl}carbonyl)-3-phosphono-L-alanin] [German] [ACD/IUPAC Name]
Cyclo[N-({2-[(5-carbamoyl-1H-benzimidazol-2-yl)méthyl]-1-méthyl-1H-benzimidazol-6-yl}carbonyl)-3-phosphono-L-alanine] [French] [ACD/IUPAC Name]
L-Alanine, N-[[2-[[5-(aminocarbonyl)-1H-benzimidazol-2-yl]methyl]-1-methyl-1H-benzimidazol-6-yl]carbonyl]-3-phosphono- [ACD/Index Name]
N-({2-[(5-Carbamoyl-1H-benzimidazol-2-yl)methyl]-1-methyl-1H-benzimidazol-6-yl}carbonyl)-3-phosphono-L-alanin [German] [ACD/IUPAC Name]
N-({2-[(5-Carbamoyl-1H-benzimidazol-2-yl)methyl]-1-methyl-1H-benzimidazol-6-yl}carbonyl)-3-phosphono-L-alanine [ACD/IUPAC Name]
N-({2-[(5-Carbamoyl-1H-benzimidazol-2-yl)méthyl]-1-méthyl-1H-benzimidazol-6-yl}carbonyl)-3-phosphono-L-alanine [French] [ACD/IUPAC Name]
955005-63-7 [RN]

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

4124YUO44Z [DBID]
APC-6336 [DBID]
AR-102 [DBID]
UNII:4124YUO44Z [DBID]
UNII-4124YUO44Z [DBID]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.790
Molar Refractivity: 119.9±0.5 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.27
ACD/LogD (pH 5.5): -6.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 223 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 89.5±7.0 dyne/cm
Molar Volume: 283.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement