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Tulathromycin B

CAT: 1596-AR-T03155-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T03155-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
280755-12-6
Synonyms
(2S,3S,6R,8R,9R,10S,11S,12R) -2- ((2R,3R) -2,3-dihydroxypentan-2-yl) -9- (((2S,3R,4S,6R) -4- (dimethylamino) -3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl) oxy) -8-hydroxy-11- (((2R,4R,5S,6S) -5-hydroxy-4-methoxy-4,6-dimethyl-5- ((propylamino) methyl) tetrahydro-2H-pyran-2-yl) oxy) -3,6,8,10,12-pentamethyl-1-oxa-4-azacyclotridecan-13-one
Molecular Formula
C41H79N3O12
Molecular Weight
806.1
API Name
Tulathromycin

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
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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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