Corollin
Basic information
- CAS
63461-31-4- Standard SMILES
O=C(CC[N+](=O)[O-])OC[C@H]1O[C@H](O)[C@H](OC(=O)CC[N+](=O)[O-])[C@@H](OC(=O)CC[N+](=O)[O-])[C@@H]1O- InChIKey
XQHIJIKPDBEMSE-WMNSZERYSA-N- Molecular formula
- C15H21N3O15
- Average molar mass
- 483.34 g/mol
- Monoisotopic mass
- 483.09726697
Names & identifiers
- Preferred name
- Corollin
- IUPAC
- [(2R,3R,4S,5R,6S)-3,6-dihydroxy-4,5-bis(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate
- English name
- 2-O,3-O,6-O-Tri(3-nitropropanoyl)-α-D-glucopyranose
- Molecular formula
- C15H21N3O15
- Molecular weight
- 483.34
Names & synonyms
Corollin63461-31-4[(2R,3R,4S,5R,6S)-3,6-dihydroxy-4,5-bis(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoatealpha-D-Glucopyranose, 2,3,6-tris(3-nitropropanoate)orb1680919SCHEMBL30415461DTXSID10979697TN5815AKOS032962765AKOS040762955NS000941182,3,6-Tris-O-(3-nitropropanoyl)hexopyranose
Show more names
α-D-Glucopyranose, 2,3,6-tris(3-nitropropanoate)alpha-D-Glucopyranose 2,3,6-tris(3-nitropropanoate)2-O,3-O,6-O-Tri(3-nitropropanoyl)-α-D-glucopyranose
2,3,6-Tris-O-(3-nitropropanoyl)-alpha-D-glucopyranose2-O,3-O,6-O-Tri(3-nitropropanoyl)-|A-D-glucopyranose
Database identifiers
- CAS
63461-31-4- PubChem CID
- 182708
- DTXSID
DTXSID10979697- Nikkaji
- J18.033E
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
Physicochemical properties
- Boiling point
- 718.8 · 718.8±60.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- pka
- 7.58 · 7.58±0.29(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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