MENADIOL SODIUM DIPHOSPHATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 2OVL75B30W
EPA CompTox DTXSID50217202

Structure

InChI Key QIWDGSYHBCMXSI-UHFFFAOYSA-J
Smiles Cc1cc(OP(=O)([O-])[O-])c2ccccc2c1OP(=O)([O-])[O-].O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C11H12O8P2.4Na.6H2O/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);;;;;6*1H2/q;4*+1;;;;;;/p-4

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H20Na4O14P2
Molecular Weight 530.18
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

Cross References

Resources Reference
ChEMBL CHEMBL3989728
FDA SRS 2OVL75B30W
PubChem 197855
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