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Midecamycin

CAT: 0607-BA1041-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-BA1041-50Size:50 mg
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CAS Number
35457-80-8
Form
A solid
Molecular Formula
C41H67NO15
Molecular Weight
813.97
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Midecamycin

Midecamycin is an organic molecular entity.

CAS Number35457-80-8
PubChem CID5282169
IUPAC Name[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-4-(dimethylamino)-3-hydroxy-5-[(2S,4R,5S,6S)-4-hydroxy-4,6-dimethyl-5-propanoyloxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate
Molecular FormulaC41H67NO15
Molecular Weight814.0
XLogP2.6
Topological Polar Surface Area206
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count14
Heavy Atom Count57
Formal Charge0
Complexity1360
SMILES
CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC)(C)O)N(C)C)O)CC=O)C)O)C
InChI
InChI=1S/C41H67NO15/c1-11-30(45)54-29-21-32(47)51-24(4)16-14-13-15-17-28(44)23(3)20-27(18-19-43)37(38(29)50-10)57-40-35(48)34(42(8)9)36(25(5)53-40)56-33-22-41(7,49)39(26(6)52-33)55-31(46)12-2/h13-15,17,19,23-29,33-40,44,48-49H,11-12,16,18,20-22H2,1-10H3/b14-13+,17-15+/t23-,24-,25-,26+,27+,28+,29-,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1
InChIKey
DMUAPQTXSSNEDD-QALJCMCCSA-N
Chemical Structure
2D Structure
2D structure of Midecamycin
CAS: 35457-80-8
CID: 5282169
Formula: C41H67NO15
MW: 814.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight814.0
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count14
Exact Mass813.45107043
Monoisotopic Mass813.45107043
Topological Polar Surface Area206 Ų
Heavy Atom Count57
Formal Charge0
Complexity1360
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

Alternative Products

CatalogName
TRC-M343250-500MGMidecamycin
A17683-500Midecamycin 500mg
A17683-100Midecamycin 100mg
HY-N14865Midecamycin A4
TN10977-01Midecamycin A3
GTR19255558-01Midecamycin A2

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