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Midecamycin A2

CAT: 0931-TN10812-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10812-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
35457-81-9
Target
Antibiotic, Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Midecamycin A2 is a macrolide compound that exhibits strong activity against Gram-positive bacteria, while showing weaker activity against Gram-negative bacteria, mycobacteria, and fungi.
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Midecamycin A2
CAS Number35457-81-9
PubChem CID13041304
IUPAC Name[(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-4-(dimethylamino)-5-hydroxy-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-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 FormulaC42H69NO15
Molecular Weight828.0
XLogP3
Topological Polar Surface Area206
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count15
Heavy Atom Count58
Formal Charge0
Complexity1380
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@H](/C=C/C=C/C[C@H](OC(=O)C[C@H]([C@@H]3OC)OC(=O)CC)C)O)C)CC=O)C)C
InChI
InChI=1S/C42H69NO15/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/h13-15,18,20,24-30,34-41,45,49-50H,11-12,16-17,19,21-23H2,1-10H3/b14-13+,18-15+/t24-,25-,26-,27+,28+,29+,30-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1
InChIKey
TYYIFWXTQAQRHI-MDWYKHENSA-N
Chemical Structure
2D Structure
2D structure of Midecamycin A2
CAS: 35457-81-9
CID: 13041304
Formula: C42H69NO15
MW: 828.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight828.0
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count15
Exact Mass827.46672049
Monoisotopic Mass827.46672049
Topological Polar Surface Area206 Ų
Heavy Atom Count58
Formal Charge0
Complexity1380
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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