mbc-11 Report issue

Small molecule Experimental
AACT

Back

Chemistry

Mol. Mass

511.21

ALogP

-2.39

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC(O)(P(=O)(O)O)P(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1O
  • InChIKey: HUIKCRXUQCSUJS-ZLRZYOKSSA-N
    InChI=1S/C11H20N3O14P3/c1-11(18,29(19,20)21)30(22,23)28-31(24,25)26-4-5-7(15)8(16)9(27-5)14-3-2-6(12)13-10(14)17/h2-3,5,7-9,15-16,18H,4H2,1H3,(H,22,23)(H,24,25)(H2,12,13,17)(H2,19,20,21)/t5-,7-,8+,9-,11?/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4802143   ChEMBL
mbc-11

Feedback

Data collection and curation is an ongoing process for CDEK - if you notice any information here to be missing or incorrect, please let us know! When possible, please include a source URL (we verify all data prior to inclusion).

Report issue