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

N-({2-[(6-Carbamoyl-1H-benzimidazol-2-yl)methyl]-1-methyl-1H-benzimidazol-6-yl}carbonyl)-3-phosphonoalanine

  • Molecular FormulaC21H21N6O7P
  • Average mass500.401 Da
  • Monoisotopic mass500.120941 Da
  • ChemSpider ID428581

More details:

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

Alanine, N-[[2-[[6-(aminocarbonyl)-1H-benzimidazol-2-yl]methyl]-1-methyl-1H-benzimidazol-6-yl]carbonyl]-3-phosphono- [ACD/Index Name]
N-({2-[(6-Carbamoyl-1H-benzimidazol-2-yl)methyl]-1-methyl-1H-benzimidazol-6-yl}carbonyl)-3-phosphonoalanin [German] [ACD/IUPAC Name]
N-({2-[(6-Carbamoyl-1H-benzimidazol-2-yl)methyl]-1-methyl-1H-benzimidazol-6-yl}carbonyl)-3-phosphonoalanine [ACD/IUPAC Name]
N-({2-[(6-Carbamoyl-1H-benzimidazol-2-yl)méthyl]-1-méthyl-1H-benzimidazol-6-yl}carbonyl)-3-phosphonoalanine [French] [ACD/IUPAC Name]
2-[[2-[(6-carbamoyl-1H-benzimidazol-2-yl)methyl]-3-methylbenzimidazole-5-carbonyl]amino]-3-phosphonopropanoic acid
2-{[2-(5-Carbamoyl-1H-benzoimidazol-2-ylmethyl)-3-methyl-3H-benzoimidazole-5-carbonyl]-amino}-3-phosphono-propionic acid
2-{[2-(6-Carbamoyl-1H-benzoimidazol-2-ylmethyl)-3-methyl-3H-benzoimidazole-5-carbonyl]-amino}-3-phosphono-propionic acid
263870-19-5 [RN]
CHEMBL421708
CRA
More...

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

APC-6336 [DBID]
4124YUO44Z [DBID]
AIDS112235 [DBID]
AIDS-112235 [DBID]
AIDS162653 [DBID]
AIDS-162653 [DBID]
CRA-6336 [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


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