Nikkomycin S(X)

Base Information

• Chemical Name: Nikkomycin S(X)
• CAS No.: 140447-97-8
• Molecular Formula: C12H14 N2 O8
• Molecular Weight: 314.25
• DSSTox Substance ID: DTXSID50161397
• Nikkaji Number: J477.502C
• Wikidata: Q83029805
• Mol file: 140447-97-8.mol

Synonyms:nikkomycin S(X);nikkomycin S-X;nikkomycin SX

Chemical Property of Nikkomycin S(X)

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 151.34000
• Density: 1.818g/cm³
• LogP: -1.73750
• XLogP3: -2.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 314.07501541
• Heavy Atom Count: 22
• Complexity: 549

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C2C(C(C(O2)N3C=C(NC3=O)C=O)O)OC1C(=O)O)O
• Isomeric SMILES: C1[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=C(NC3=O)C=O)O)O[C@@H]1C(=O)O)O

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