PHYTIC ACID

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7IGF0S7R8I

Structure
InChI Key IMQLKJBTEOYOSI-GPIVLXJGSA-N
Smile O=P(O)(O)O[C@H]1[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O
InChI
InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H18O24P6
Molecular Weight 660.03
AlogP -3.13
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 12.0
Number of Rotational Bond 12.0
Polar Surface Area 400.56
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 36.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pregnancy 3 D011247 ClinicalTrials

Cross References

Resources Reference
ChEBI 17401
ChEMBL CHEMBL1233511
DrugBank DB14981
DrugCentral 3465
EPA CompTox DTXSID40889331
FDA SRS 7IGF0S7R8I
KEGG C01204
PDB IHP
SureChEMBL SCHEMBL19249
ZINC ZINC000169289809
CONTENTS