MENADIOL DIPHOSPHORIC ACID

Search structure
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: GRL65FEU3T

Structure
InChI Key JTNHOVZOOVVGHI-UHFFFAOYSA-N
Smile Cc1cc(OP(=O)(O)O)c2ccccc2c1OP(=O)(O)O
InChI
InChI=1S/C11H12O8P2/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17/h2-6H,1H3,(H2,12,13,14)(H2,15,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H12O8P2
Molecular Weight 334.16
AlogP 2.09
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 133.52
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 21.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 134713
ChEMBL CHEMBL1201348
DrugBank DB14650
DrugCentral 5032
FDA SRS GRL65FEU3T
Human Metabolome Database HMDB0032721
SureChEMBL SCHEMBL515181
ZINC ZINC000001542933
CONTENTS