1H-Indole, 1-alpha-L-arabinopyranosyl-5-nitro-
Basic information
- CAS
67189-83-7- Standard SMILES
O=[N+]([O-])c1ccc2c(ccn2C2OCC(O)C(O)C2O)c1- InChIKey
MNXWZTJAKNRWBN-UHFFFAOYSA-N- Molecular formula
- C13H14N2O6
- Average molar mass
- 294.26 g/mol
- Monoisotopic mass
- 294.08518617
Names & identifiers
- Preferred name
- 1H-Indole, 1-alpha-L-arabinopyranosyl-5-nitro-
- IUPAC
- 2-(5-nitroindol-1-yl)oxane-3,4,5-triol
Names & synonyms
1H-Indole, 1-.alpha.-L-arabinopyranosyl-5-nitro-67189-83-7NSC221096Oprea1_050574Oprea1_077427DTXSID403099835-Nitro-1-pentopyranosyl-1H-indoleAKOS000588279NSC-221096SR-01000310304SR-01000310304-1
Database identifiers
- CAS
67189-83-7- PubChem CID
- 312147
- DTXSID
DTXSID40309983
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 403
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Compound notes
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