SODIUM FOLATE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9P9W8GGU78

Structure

InChI Key SWIRFWUEJODNRG-UHFFFAOYSA-L
Smiles NC1=NC(=O)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)O[Na])C(=O)O[Na])cnc2N1
InChI
InChI=1/C19H19N7O6.2Na/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;;/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30);;/q;2*+1/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H19N7O6.Na
Molecular Weight 485.1
AlogP -7.76
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 9.0
Polar Surface Area 219.93
Heavy Atoms 34.0

Cross References

Resources Reference
CAS NUMBER 6484-89-5
NORMAN SUSDAT
FDA SRS 9P9W8GGU78
CONTENTS