D-glycero-L-allo-Non-2-enonic acid, 5-(acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-, rel-
Basic information
- CAS
1797132-24-1- Standard SMILES
CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@@H](O)CO)OC(C(=O)O)=C[C@@H]1N=C(N)N- InChIKey
ARAIBEBZBOPLMB-NZZFYBJCSA-N- Molecular formula
- C12H20N4O7
- Average molar mass
- 332.31 g/mol
- Monoisotopic mass
- 332.13319899
Names & identifiers
- Preferred name
- D-glycero-L-allo-Non-2-enonic acid, 5-(acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-, rel-
- IUPAC
- (2S,3S,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2S)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
Names & synonyms
DTXSID7011073391797132-24-1D-glycero-L-allo-Non-2-enonic acid, 5-(acetylamino)-4-[(aminoiminomethyl)amino]-2,6-anhydro-3,4,5-trideoxy-, rel-
Database identifiers
- CAS
1797132-24-1- PubChem CID
- 165367308
- DTXSID
DTXSID701107339
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 201 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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