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Tulathromycin Impurity C

CAT: 1596-AR-T06208-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T06208-02Size:25 Units
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CAS Number
352032-81-6
Synonyms
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R) -11- (((2S,3R,4S,6R) -4- (dimethylamino) -3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl) oxy) -2-ethyl-3,4,10-trihydroxy-13- (((5S,6S,8R,10R) -10-methoxy-6,10-dimethyl-3-propyl-1,7-dioxa-3-azaspiro[4.5]decan-8-yl) oxy) -3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
Molecular Formula
C42H79N3O12
Molecular Weight
818.10
API Name
Tulathromycin

Chemical Information

5'-Desmethylpropylamine Tulathromycin-3'-Propyloxazolidine
CAS Number352032-81-6
PubChem CID59037902
IUPAC Name(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[[(5S,6R,8R,10S)-6-methoxy-6,10-dimethyl-3-propyl-1,9-dioxa-3-azaspiro[4.5]decan-8-yl]oxy]-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
Molecular FormulaC42H79N3O12
Molecular Weight818.1
XLogP4.7
Topological Polar Surface Area181
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count9
Heavy Atom Count57
Formal Charge0
Complexity1300
SMILES
CCCN1C[C@@]2([C@@H](O[C@H](C[C@@]2(C)OC)O[C@H]3[C@@H]([C@H]([C@](C[C@H](CN[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]3C)CC)(C)O)O)C)C)(C)O)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)C)C)OC1
InChI
InChI=1S/C42H79N3O12/c1-15-17-45-22-42(52-23-45)29(8)54-32(20-40(42,10)51-14)56-34-26(5)36(57-38-33(46)30(44(12)13)18-25(4)53-38)39(9,49)19-24(3)21-43-28(7)35(47)41(11,50)31(16-2)55-37(48)27(34)6/h24-36,38,43,46-47,49-50H,15-23H2,1-14H3/t24-,25-,26+,27-,28-,29+,30+,31-,32+,33-,34+,35-,36-,38+,39-,40-,41-,42+/m1/s1
InChIKey
XTCDBDXXHMDVPA-CAIRCFMVSA-N
Chemical Structure
2D Structure
2D structure of 5'-Desmethylpropylamine Tulathromycin-3'-Propyloxazolidine
CAS: 352032-81-6
CID: 59037902
Formula: C42H79N3O12
MW: 818.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight818.1
XLogP34.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count9
Exact Mass817.56637496
Monoisotopic Mass817.56637496
Topological Polar Surface Area181 Ų
Heavy Atom Count57
Formal Charge0
Complexity1300
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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