Methyl 2,3-anhydro-5-o-(4-nitrobenzoyl)-2-thiopentofuranoside
Basic information
- CAS
22314-25-6- Standard SMILES
COC1OC(COC(=O)c2ccc([N+](=O)[O-])cc2)C2SC12- InChIKey
FFIVSOJPUPMSCN-UHFFFAOYSA-N- Molecular formula
- C13H13NO6S
- Average molar mass
- 311.31 g/mol
- Monoisotopic mass
- 311.04635831
Names & identifiers
- Preferred name
- Methyl 2,3-anhydro-5-o-(4-nitrobenzoyl)-2-thiopentofuranoside
- IUPAC
- (4-methoxy-3-oxa-6-thiabicyclo[3.1.0]hexan-2-yl)methyl 4-nitrobenzoate
Names & synonyms
22314-25-6methyl 2,3-anhydro-5-o-(4-nitrobenzoyl)-2-thiopentofuranosideNSC110738DTXSID40944959NSC127227NSC-110738NSC-127227
Database identifiers
- CAS
22314-25-6- PubChem CID
- 269557
- DTXSID
DTXSID40944959
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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