Glucose 3-nitropropanoates; 2,6-Bis-O-(3-nitropropanoyl)-α-D-glucopyranose
AlkaPlorer ID: AK299324
Synonym: Coronarian
IUPAC Name: [3,4,6-trihydroxy-5-(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate
Structure
SMILES: O=C(CC[N+](=O)[O-])OCC1OC(O)C(OC(=O)CC[N+](=O)[O-])C(O)C1O
InChI: InChI=1S/C12H18N2O12/c15-7(1-3-13(20)21)24-5-6-9(17)10(18)11(12(19)25-6)26-8(16)2-4-14(22)23/h6,9-12,17-19H,1-5H2
InChIKey: VDUXCWJUZIOGJA-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 382.2780000000001
TPSA？: 208.8
MolLogP？: -2.7859999999999974
Number of H-Donors: 3
Number of H-Acceptors: 12
RingCount: 1
Activities Information
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