LEVOLEUCOVORIN

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII 990S25980Y
EPA CompTox DTXSID4023204

Structure

InChI Key VVIAGPKUTFNRDU-STQMWFEESA-N
Smiles Nc1nc(=O)c2c([nH]1)NC[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N2C=O
InChI
InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H23N7O7
Molecular Weight 473.45
AlogP -0.73
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 10.0
Polar Surface Area 219.84
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 34.0

Related Entries

Cross References

Resources Reference
ChEBI 63606
ChEMBL CHEMBL1908841
DrugBank DB11596
DrugCentral 4384
FDA SRS 990S25980Y
PDB FFO
PubChem 135398559
SureChEMBL SCHEMBL16946130
ZINC ZINC000009212427
CONTENTS