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Midecamycin A3

CAT: 1299-RM-M472002-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M472002-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
36025-69-1
Synonyms
(4R,5S,6S,7R,9R,11E,13E,16R) -6- (((2S,3R,4R,5S,6R) -4- (dimethylamino) -3-hydroxy-5- (((2S,4R,5S,6S) -4-hydroxy-4,6-dimethyl-5- (propionyloxy) tetrahydro-2H-pyran-2-yl) oxy) -6-methyltetrahydro-2H-pyran-2-yl) oxy) -5-methoxy-9,16-dimethyl-2,10-dioxo-7- (2-oxoethyl) oxacyclohexadeca-11,13-dien-4-yl propionate
Molecular Formula
C41H65NO15
Molecular Weight
811.96
Target Alternative Name
Midecamycin
Product Name Synonym
(4R,5S,6S,7R,9R,11E,13E,16R) -6- (((2S,3R,4R,5S,6R) -4- (dimethylamino) -3-hydroxy-5- (((2S,4R,5S,6S) -4-hydroxy-4,6-dimethyl-5- (propionyloxy) tetrahydro-2H-pyran-2-yl) oxy) -6-methyltetrahydro-2H-pyran-2-yl) oxy) -5-methoxy-9,16-dimethyl-2,10-dioxo-7- (2-oxoethyl) oxacyclohexadeca-11,13-dien-4-yl propionate

Chemical Information

Midecamycin A3

SF-837 A3 is an aminoglycoside.

CAS Number36025-69-1
PubChem CID6445465
IUPAC Name[(4R,5S,6S,7R,9R,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-5-methoxy-9,16-dimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate
Molecular FormulaC41H65NO15
Molecular Weight812.0
XLogP2.7
Topological Polar Surface Area203
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count16
Rotatable Bond Count14
Heavy Atom Count57
Formal Charge0
Complexity1400
SMILES
CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/C(=O)[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)C
InChI
InChI=1S/C41H65NO15/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/h13-15,17,19,23-27,29,33-40,48-49H,11-12,16,18,20-22H2,1-10H3/b14-13+,17-15+/t23-,24-,25-,26+,27+,29-,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1
InChIKey
POOQYAXQHUANTP-BCGBQJBESA-N
Chemical Structure
2D Structure
2D structure of Midecamycin A3
CAS: 36025-69-1
CID: 6445465
Formula: C41H65NO15
MW: 812.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight812.0
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count16
Rotatable Bond Count14
Exact Mass811.43542037
Monoisotopic Mass811.43542037
Topological Polar Surface Area203 Ų
Heavy Atom Count57
Formal Charge0
Complexity1400
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

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