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5-Hydroxydidrovaltrate
FEATURES
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NAMES
  • 5-Hydroxydidrovaltrate
SMILES
CC(=O)O[C@H]1C[C@]2(O)C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]12CO2
InChI
InChI=1S/C22H32O9/c1-12(2)6-17(24)27-9-15-10-28-20(31-18(25)7-13(3)4)19-21(15,26)8-16(30-14(5)23)22(19)11-29-22/h10,12-13,16,19-20,26H,6-9,11H2,1-5H3/t16-,19-,20-,21-,22+/m0/s1
MOLECULAR FORMULA
C22H32O9
CROSS REFERENCES
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5-Hydroxydidrovaltrate

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 440.20
AlogP 1.86
HBond donors 1
HBond acceptors 9
Atoms 63
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 5-Hydroxydidrovaltrate.