TETRAHYDROFOLATE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure
InChI Key MSTNYGQPCMXVAQ-NEPJUHHUSA-N
Smile Nc1nc(=O)c2c([nH]1)NC[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2
InChI
InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11-,12+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H23N7O6
Molecular Weight 445.44
AlogP -0.28
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 8.0
Number of Rotational Bond 9.0
Polar Surface Area 211.56
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 32.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 166569
ChEMBL CHEMBL2074655
EPA CompTox DTXSID70897520
PDB 1YJ
SureChEMBL SCHEMBL8031
ZINC ZINC000004228235
CONTENTS