Discodermolide-3-Acetate
FEATURES
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NAMES
  • Discodermolide-3-Acetate
SMILES
C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C
InChI
InChI=1S/C35H57NO9/c1-11-12-13-21(4)32(45-35(36)42)25(8)31(40)23(6)17-19(2)16-22(5)30(39)20(3)14-15-28(38)18-29-24(7)33(43-27(10)37)26(9)34(41)44-29/h11-16,20-26,28-33,38-40H,1,17-18H2,2-10H3,(H2,36,42)/b13-12-,15-14-,19-16-/t20-,21-,22-,23-,24-,25-,26+,28+,29-,30-,31+,32-,33-/m0/s1
MOLECULAR FORMULA
C35H57NO9
CROSS REFERENCES
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Discodermolide-3-Acetate
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight635.40
AlogP4.87
HBond donors5
HBond acceptors10
Atoms102
Contains toxicophoreYes
Contains PAINSNo
Commercially availableUnknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by Discodermolide-3-Acetate.