N-(2-nitro-4-azidobenzoyl)puromycin
Basic information
- CAS
73579-23-4- Standard SMILES
COc1ccc(C[C@H](NC(=O)c2ccc(N=[N+]=[N-])cc2[N+](=O)[O-])C(=O)N[C@H]2[C@@H](O)[C@H](n3cnc4c(N(C)C)ncnc43)O[C@@H]2CO)cc1- InChIKey
UUGPZVWEVTVYRC-OGTWZCNESA-N- Molecular formula
- C29H31N11O8
- Average molar mass
- 661.6 g/mol
- Monoisotopic mass
- 661.23570699
Names & identifiers
- Preferred name
- N-(2-nitro-4-azidobenzoyl)puromycin
- IUPAC
- 4-azido-N-[(2S)-1-[[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-2-nitrobenzamide
- English name
- N-(2-nitro-4-azidobenzoyl)puromycin
- Molecular formula
- C29H31N11O8
- Molecular weight
- 661.62534
Names & synonyms
N-(2-Nitro-4-azidobenzoyl)puromycin73579-23-4DTXSID60223773Adenosine, 3'-((2-((4-azido-2-nitrobenzoyl)amino)-3-(4-methoxyphenyl)-1-oxopropyl)amino)-3'-deoxy-N,N-dimethyl-, (S)-RefChem:161801DTXCID901462644-azido-N-[(2S)-1-[[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-2-nitrobenzamide3'-{[N-(4-Azido-2-nitrobenzoyl)-O-methyl-L-tyrosyl]amino}-3'-deoxy-N,N-dimethyladenosine
Database identifiers
- CAS
73579-23-4- PubChem CID
- 3037571
- DTXSID
DTXSID60223773
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 224 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 11
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,180
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