fosmetpantotenate Report issue

Small molecule Experimental
AACT PubChem

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Chemistry

Mol. Mass

474.4419

ALogP

1.41

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: COC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@](=O)(N[C@@H](C)C(=O)OC)OC1=CC=CC=C1
  • InChIKey: HUWUHKIPYXWUPN-MUIAOOQVSA-N
    1S/C20H31N2O9P/c1-14(19(26)29-5)22-32(27,31-15-9-7-6-8-10-15)30-13-20(2,3)17(24)18(25)21-12-11-16(23)28-4/h6-10,14,17,24H,11-13H2,1-5H3,(H,21,25)(H,22,27)/t14-,17-,32+/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3989938   ChEMBL
fosmetpantotenate

FD7K3338YY   NCATS
fosmetpantotenate, (4r)- *

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