4-(Hexopyranosyloxy)naphthalen-1-yl hydrogen methylcarbonimidate
Basic information
- CAS
50680-16-5- Standard SMILES
CNC(=O)Oc1ccc(OC2OC(CO)C(O)C(O)C2O)c2ccccc12- InChIKey
KQUIDGDWPZDMAV-UHFFFAOYSA-N- Molecular formula
- C18H21NO8
- Average molar mass
- 379.4 g/mol
- Monoisotopic mass
- 379.12671663
Names & identifiers
- Preferred name
- 4-(Hexopyranosyloxy)naphthalen-1-yl hydrogen methylcarbonimidate
- IUPAC
- [4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-1-yl] N-methylcarbamate
Names & synonyms
DTXSID80964914NSC294766NSC-2947664-(Hexopyranosyloxy)naphthalen-1-yl hydrogen methylcarbonimidate
Database identifiers
- CAS
50680-16-5- PubChem CID
- 325673
- DTXSID
DTXSID80964914
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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