COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL524898
Chemical Name: (2R,3R,4S,4aR,12aS)-2-[(acetyloxy)methyl]-6,11-dioxo-3,4,4a,6,11,12a-hexahydro-2H-naphtho[2,3-b]pyrano[2,3-e][1,4]oxathiine-3,4-diyldiacetate
Smiles: CC(=O)O[C@@H]1[C@H]2OC3=C(S[C@@H]2O[C@@H]([C@H]1OC(=O)C)COC(=O)C)C(=O)c1c(C3=O)cccc1

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Molecular Weight: 476.46
Empirical Formula: C22H20O10S

Physical State: Dry powder
Available Amount: 57 mg

Lipinsky:
logP: 4.21
Rotatable bonds: 4
H-donors: 0
H-acceptors: 10
PSA: 156
Number of rings: 4

     

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