PREDNISOLONE PHOSPHORIC ACID

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Synonyms
Status
Molecule Category Free-form
UNII 752SY38R6C
EPA CompTox DTXSID7047481

Structure

InChI Key JDOZJEUDSLGTLU-VWUMJDOOSA-N
Smiles C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COP(=O)(O)O
InChI
InChI=1S/C21H29O8P/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h5,7,9,14-16,18,23,25H,3-4,6,8,10-11H2,1-2H3,(H2,26,27,28)/t14-,15-,16-,18+,19-,20-,21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H29O8P
Molecular Weight 440.43
AlogP 1.67
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 141.36
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 30.0

Related Entries

Cross References

Resources Reference
ChEBI 145705
ChEMBL CHEMBL1201231
DrugBank DB14631
DrugCentral 4451
FDA SRS 752SY38R6C
SureChEMBL SCHEMBL136773
ZINC ZINC000004097473
CONTENTS