2,5-Dideoxy-2,5-imino-DL-glycero-D-manno-heptitol 7-beta-D-xylopyranoside

AlkaPlorer ID: AK178410

Synonym: 'Homo-DMDP 7-O-beta-D-xylopyranoside'

IUPAC Name: (2R,3R,4S,5R)-2-[(2S)-2-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-2-hydroxyethoxy]oxane-3,4,5-triol

Structure

SMILES: OC[C@H]1N[C@H]([C@H](O)CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O

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InChI: InChI=1S/C12H23NO9/c14-1-4-8(17)10(19)7(13-4)5(15)2-21-12-11(20)9(18)6(16)3-22-12/h4-20H,1-3H2/t4-,5-,6-,7-,8-,9+,10-,11-,12-/m1/s1

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InChIKey: YJEAJVWWEYAAFS-BBFNFCGLSA-N

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Properties Information

Molecule Weight: 325.314

TPSA: 172.1

MolLogP: -5.142599999999993

Number of H-Donors: 8

Number of H-Acceptors: 10

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information