Compound Selection

Formula: C30H24N4O10

MW: 600.54

CAS: 15351-13-0

MDL NUMBER: MFCD09788227

IUPAC: (2S,4S,5S,3R)-2,5-bis(3-pyridylcarbonyloxymethyl)-2-hydroxy-4-(3-pyridylcarbon yloxy)oxolan-3-yl pyridine-3-carboxylate

Smiles: c1(cccnc1)C(OC[C@@H]1O[C](O)([C@@H]([C@H]1OC(=O)c1cccnc1)OC(c1cccnc1)=O)COC(=O)c1cccnc1)=O

THERAPEUTIC CATEGORY: Vasodilator (Peripheral)

ACCEPTORS: 10

DONORS: 1

ROTATION BONDS: 11

N+O: 14

Chiral Centers: 4

LogP: 0.22

LogS: -4.66

LIPINSKI: 3

Synonyms: NICOFURANOSE;BETA-D-FRUCTOFURANOSE TETRANICOTINATE;1,3,4,6-Tetrakis-O-(3-pyridinylcarbonyl)hex-2-ulofuranose;beta-D-Fructofuranose, 1,3,4,6-tetra-3-pyridinecarboxylate;Bradilan;D-Fructofuranose 1,3,4,6-tetranicotinate;Vasperdil;

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