Arylazido-beta-alanyl-nadp

Base Information

• Chemical Name: Arylazido-beta-alanyl-nadp
• CAS No.: 73617-93-3
• Molecular Formula: C30H35 N12 O20 P3
• Molecular Weight: 976.588583
• DSSTox Substance ID: DTXSID50223803
• Wikidata: Q83102296
• Mol file: 73617-93-3.mol

Synonyms:arylazido-beta-alanyl-NADP;arylazido-beta-alanyl-NADP(+);arylazido-beta-alanyl-NADPH;N-(3'-O-(3-(N-azido-2-nitrophenyl)amino)propionyl)NADP

Chemical Property of Arylazido-beta-alanyl-nadp

Chemical Property:

• XLogP3: -2.4
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 27
• Rotatable Bond Count: 20
• Exact Mass: 976.13034255
• Heavy Atom Count: 65
• Complexity: 1900

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OC3C(C(OC3N4C=NC5=C(N=CN=C54)N)COP(=O)(O)OP(=O)(O)O)O)OC(=O)CCNC6=C(C=C(C=C6)N=[N+]=[N-])[N+](=O)[O-])[O-])C(=O)N
• Isomeric SMILES: C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O[C@@H]3[C@@H]([C@H](O[C@H]3N4C=NC5=C(N=CN=C54)N)COP(=O)(O)OP(=O)(O)O)O)OC(=O)CCNC6=C(C=C(C=C6)N=[N+]=[N-])[N+](=O)[O-])[O-])C(=O)N

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