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Tulathromycin B

CAT: 1410-M39680Size: 1 EachDry Ice: NoHazardous: No
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Description
Tulathromycin B (CP 547272) is an isomer of Tulathromycin (a macrolide antibiotic) .
CAS Number
280755-12-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
806.08
Molecular Formula
C41H79N3O12
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Tulathromycin B

Tulathromycin B is an aminoglycoside.

CAS Number280755-12-6
PubChem CID71244897
IUPAC Name(2R,3R,6R,8R,9R,10S,11S,12R)-2-[(2R,3R)-2,3-dihydroxypentan-2-yl]-9-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-hydroxy-11-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-5-(propylaminomethyl)oxan-2-yl]oxy-3,6,8,10,12-pentamethyl-1-oxa-4-azacyclotridecan-13-one
Molecular FormulaC41H79N3O12
Molecular Weight806.1
XLogP2.1
Topological Polar Surface Area201
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count15
Rotatable Bond Count13
Heavy Atom Count56
Formal Charge0
Complexity1240
SMILES
CCCNC[C@@]1([C@@H](O[C@H](C[C@@]1(C)OC)O[C@H]2[C@@H]([C@H]([C@](C[C@H](CN[C@@H]([C@@H](OC(=O)[C@@H]2C)[C@@](C)([C@@H](CC)O)O)C)C)(C)O)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)C)O
InChI
InChI=1S/C41H79N3O12/c1-15-17-42-22-41(50)28(8)53-31(20-39(41,10)51-14)54-33-25(5)34(56-37-32(46)29(44(12)13)18-24(4)52-37)38(9,48)19-23(3)21-43-27(7)35(55-36(47)26(33)6)40(11,49)30(45)16-2/h23-35,37,42-43,45-46,48-50H,15-22H2,1-14H3/t23-,24-,25+,26-,27-,28+,29+,30-,31+,32-,33+,34-,35-,37+,38-,39-,40-,41+/m1/s1
InChIKey
JEBMHQVCOAWRCT-QPTWMBCESA-N
Chemical Structure
2D Structure
2D structure of Tulathromycin B
CAS: 280755-12-6
CID: 71244897
Formula: C41H79N3O12
MW: 806.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight806.1
XLogP32.1
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count15
Rotatable Bond Count13
Exact Mass805.56637496
Monoisotopic Mass805.56637496
Topological Polar Surface Area201 Ų
Heavy Atom Count56
Formal Charge0
Complexity1240
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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