Glucose 3-nitropropanoates; 2,3,4,6-Tetrakis-O-(3-nitropropanoyl)-α-D-glucopyranose 

AlkaPlorer ID: AK299333

Synonym: None

IUPAC Name: [6-hydroxy-3,4,5-tris(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(OC(=O)CC[N+](=O)[O-])C1OC(=O)CC[N+](=O)[O-]

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InChI: InChI=1S/C18H24N4O18/c23-11(1-5-19(28)29)36-9-10-15(38-12(24)2-6-20(30)31)16(39-13(25)3-7-21(32)33)17(18(27)37-10)40-14(26)4-8-22(34)35/h10,15-18,27H,1-9H2

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InChIKey: JMPKPWBLQUWFHQ-UHFFFAOYSA-N

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Reference

PubChem CID: 4239801

CAS: 122475-42-7

Properties Information

Molecule Weight: 584.4000000000003

TPSA: 307.22

MolLogP: -2.350599999999993

Number of H-Donors: 1

Number of H-Acceptors: 18

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information