ut-231b Report issue

Small molecule Experimental
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Chemistry

Mol. Mass

425.48

ALogP

0.37

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCOCCCCCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@H]1C.O=C(O)[C@H](O)[C@@H](O)C(=O)O
  • InChIKey: DZRQMHSNVNTFAQ-IVGJVWKCSA-N
    InChI=1S/C14H29NO4.C4H6O6/c1-3-19-9-7-5-4-6-8-15-10-12(16)14(18)13(17)11(15)2;5-1(3(7)8)2(6)4(9)10/h11-14,16-18H,3-10H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t11-,12+,13+,14-;1-,2-/m11/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297332   ChEMBL
ut-231b

CHEMBL4300049   ChEMBL
ut-231b

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