Basic information
- CAS
1400-11-9- Standard SMILES
O=C(CC[N+](=O)[O-])OCC1OC(OC(=O)CC[N+](=O)[O-])C(OC(=O)CC[N+](=O)[O-])C(O)C1O- InChIKey
CNURKUNYCXCBEK-UHFFFAOYSA-N- Molecular formula
- C15H21N3O15
- Average molar mass
- 483.34 g/mol
- Monoisotopic mass
- 483.09726697
Names & identifiers
- Preferred name
- 1,2,6-Tris-O-(3-nitropropanoyl)hexopyranose
- IUPAC
- [3,4-dihydroxy-5,6-bis(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate
Names & synonyms
DTXSID409306901,2,6-Tris-O-(3-nitropropanoyl)hexopyranose[3,4-dihydroxy-5,6-bis(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoateRefChem:215415(3,4-dihydroxy-5,6-bis(3-nitropropanoyloxy)oxan-2-yl)methyl 3-nitropropanoateDTXCID201359414NSC279515.beta.-D-Glucopyranose,2,6-tris(3-nitropropanoate)
Database identifiers
- CAS
1400-11-9- PubChem CID
- 322362
- DTXSID
DTXSID40930690
Properties
Computed structural properties
- XLogP
- -2.2
- Topological polar surface area
- 266 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 13
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 742
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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