beta-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate)
Basic information
- CAS
1400-11-9- Standard SMILES
O=C(CC[N+](=O)[O-])OC[C@H]1O[C@@H](OC(=O)CC[N+](=O)[O-])[C@H](OC(=O)CC[N+](=O)[O-])[C@@H](O)[C@@H]1O- InChIKey
CNURKUNYCXCBEK-WMNSZERYSA-N- Molecular formula
- C15H21N3O15
- Average molar mass
- 483.34 g/mol
- Monoisotopic mass
- 483.09726697
Overview
Karakin is a glycoside.
Names & identifiers
- Preferred name
- beta-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate)
- IUPAC
- [(2R,3S,4S,5R,6S)-3,4-dihydroxy-5,6-bis(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate
Names & synonyms
KarakinCarakinEndecaphillin A1400-11-9KarakineI84581BGZYJ92.792Ibeta-D-Glucopyranose, 1,2,6-tris(3-nitropropanoate)C08495[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5,6-bis(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoateNSC-279515((2R,3S,4S,5R,6S)-3,4-DIHYDROXY-5,6-BIS(3-NITROPROPANOYLOXY)OXAN-2-YL)METHYL 3-NITROPROPANOATE
Show more names
((2R,3S,4S,5R,6S)-3,4-dihydroxy-5,6-bis(3-nitropropanoyloxy)tetrahydropyran-2-yl)methyl 3-nitropropanoate[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5,6-bis(3-nitropropanoyloxy)tetrahydropyran-2-yl]methyl 3-nitropropanoateRefChem:150948UNII-I84581BGZYKarakin (8CI)NSC 279515CHEBI:6112MEGxp0_002056
Database identifiers
- CAS
1400-11-9- PubChem CID
- 100274
- ChEMBL
CHEMBL5277815- ChEBI
CHEBI:6112- UNII
- I84581BGZY
- Nikkaji
- J92.792I
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
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Related reactions
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Compound notes
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