Basic information
- CAS
111858-64-1- Standard SMILES
O=NN(c1ccc(C(=O)O)cc1)C1OC[C@@H](O)[C@@H](O)[C@@H]1O- InChIKey
IZBRSKWGGZBDQP-NFLHVTIKSA-N- Molecular formula
- C12H14N2O7
- Average molar mass
- 298.25 g/mol
- Monoisotopic mass
- 298.08010079
Names & identifiers
- Preferred name
- N-Nitroso-N-p-carboxyphenyl-D-arabinosylamine
- IUPAC
- 4-[nitroso-[(3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]benzoic acid
Names & synonyms
N-Nitroso-N-p-carboxyphenyl-D-arabinosylamine111858-64-1CCRIS 3636p-(N-Nitroso-D-arabinopyranosylamino)benzoic acidBenzoic acid, 4-(D-arabinopyranosylnitrosoamino)-Benzoic acid, p-(N-nitroso-D-arabinopyranosylamino)-DTXSID801030830
Database identifiers
- CAS
111858-64-1- PubChem CID
- 198699
- DTXSID
DTXSID801030830
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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