Products for Research Use Only

Midecamycin A4

CAT: 0013-GTR19255478-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255478-01Size:50 mg
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Description
Midecamycin A4 is a macrolide compound that exhibits strong activity against Gram-positive bacteria and shows weak activity against Gram-negative bacteria, mycobacteria, and fungi.
CAS Number
36083-82-6
Field of Research
Infectious Disease & Virology
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Midecamycin A4
CAS Number36083-82-6
PubChem CID76971499
IUPAC Name[(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-4-(dimethylamino)-5-hydroxy-6-[[(4R,5S,6S,7R,9R,11E,13E,16R)-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)-4-propanoyloxy-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] butanoate
Molecular FormulaC42H67NO15
Molecular Weight826.0
XLogP3
Topological Polar Surface Area203
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count16
Rotatable Bond Count15
Heavy Atom Count58
Formal Charge0
Complexity1420
SMILES
CCCC(=O)O[C@H]1[C@@H](O[C@H](C[C@@]1(C)O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2N(C)C)O)O[C@H]3[C@H](C[C@H](C(=O)/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]3OC)OC(=O)CC)C)C)CC=O)C)C
InChI
InChI=1S/C42H67NO15/c1-11-16-32(47)56-40-27(6)53-34(23-42(40,7)50)57-37-26(5)54-41(36(49)35(37)43(8)9)58-38-28(19-20-44)21-24(3)29(45)18-15-13-14-17-25(4)52-33(48)22-30(39(38)51-10)55-31(46)12-2/h13-15,18,20,24-28,30,34-41,49-50H,11-12,16-17,19,21-23H2,1-10H3/b14-13+,18-15+/t24-,25-,26-,27+,28+,30-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1
InChIKey
NLUFZUPOQMATMY-VPLIJDJMSA-N
Chemical Structure
2D Structure
2D structure of Midecamycin A4
CAS: 36083-82-6
CID: 76971499
Formula: C42H67NO15
MW: 826.0
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight826.0
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count16
Rotatable Bond Count15
Exact Mass825.45107043
Monoisotopic Mass825.45107043
Topological Polar Surface Area203 Ų
Heavy Atom Count58
Formal Charge0
Complexity1420
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes