Glycine, N-(4-(((carboxymethyl)amino)carbonyl)-2,3,5,6-tetraiodobenzoyl)-N-(phenylmethyl)-
Basic information
- CAS
29779-64-4- Standard SMILES
O=C(O)CNC(=O)c1c(I)c(I)c(C(=O)N(CC(=O)O)Cc2ccccc2)c(I)c1I- InChIKey
WXDVQIHUVTUFEC-UHFFFAOYSA-N- Molecular formula
- C19H14I4N2O6
- Average molar mass
- 873.9 g/mol
- Monoisotopic mass
- 873.7031
Names & identifiers
- Preferred name
- Glycine, N-(4-(((carboxymethyl)amino)carbonyl)-2,3,5,6-tetraiodobenzoyl)-N-(phenylmethyl)-
- IUPAC
- 2-[[4-[benzyl(carboxymethyl)carbamoyl]-2,3,5,6-tetraiodobenzoyl]amino]acetic acid
- English name
- N-(4-(((Carboxymethyl)amino)carbonyl)-2,3,5,6-tetraiodobenzoyl)-N-(phe nylmethyl)glycine
- Molecular formula
- C19H14I4N2O6
- Molecular weight
- 873.94
Names & synonyms
BRN 2956980Glycine, N-(4-(((carboxymethyl)amino)carbonyl)-2,3,5,6-tetraiodobenzoyl)-N-(phenylmethyl)-29779-64-4DTXSID90183932N-(4-(((Carboxymethyl)amino)carbonyl)-2,3,5,6-tetraiodobenzoyl)-N-(phenylmethyl)glycineN-(4-(Carboxymethyl-carbamoyl)-2,3,5,6-tetrajod-benzoyl)-N-benzyl-aminoessigsaure [German]N-(4-(Carboxymethyl-carbamoyl)-2,3,5,6-tetrajod-benzoyl)-N-benzyl-aminoessigsaureRefChem:346490DTXCID301064232-[[4-[benzyl(carboxymethyl)carbamoyl]-2,3,5,6-tetraiodobenzoyl]amino]acetic acid{N-Benzyl-4-[(carboxymethyl)carbamoyl]-2,3,5,6-tetraiodobenzamido}acetic acidN-(4-(((Carboxymethyl)amino)carbonyl)-2,3,5,6-tetraiodobenzoyl)-N-(phe nylmethyl)glycine
Show more names
Glycine, N-[4-[[(carboxymethyl)amino]carbonyl]-2,3,5,6-tetraiodobenzoyl]-N-(phenylmethyl)-
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 674
Physicochemical properties
- Boiling point
- 807.9 · 807.9±65.0 °C(Predicted)
- Density
- 2.452 · 2.452±0.06 g/cm3(Predicted)
- pka
- 3.37 · 3.37±0.10(Predicted)
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Compound notes
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