(2R,3S,4S,5R,6S)-2-({[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-[4-(2-nitroethyl)phenoxy]oxane-3,4,5-triol

AlkaPlorer ID: AK318522

Synonym: None

IUPAC Name: None

Structure

SMILES: O=[N+]([O-])CCC1=CC=C(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C1

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InChI: InChI=1S/C19H27NO12/c21-8-19(26)9-30-18(16(19)25)29-7-12-13(22)14(23)15(24)17(32-12)31-11-3-1-10(2-4-11)5-6-20(27)28/h1-4,12-18,21-26H,5-9H2/t12-,13-,14+,15-,16+,17-,18-,19-/m1/s1

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InChIKey: GVFCXNBFDQOBRP-OTCFHACESA-N

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Reference

SuperNatural Ⅲ: SN0116212-02

NPASS: NPC13600

Properties Information

Molecule Weight: 461.4200000000001

TPSA: 201.44

MolLogP: -2.8505999999999974

Number of H-Donors: 6

Number of H-Acceptors: 12

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information