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Tulathromycin Impurity D

CAT: 1596-AR-T06210-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T06210-04Size:100 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
371193-60-1
Synonyms
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R) -13- (((2R,4R,5S,6S) -5- (aminomethyl) -5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl) oxy) -11- (((2S,3R,4S,6R) -4- (dimethylamino) -3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl) oxy) -2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
Molecular Formula
C38H73N3O12
Molecular Weight
764.01
API Name
Tulathromycin

Chemical Information

5'-Desmethylpropylamine Tulathromycin-5'-methanamine
CAS Number371193-60-1
PubChem CID71449160
IUPAC Name(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-13-[(2R,4R,5S,6S)-5-(aminomethyl)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
Molecular FormulaC38H73N3O12
Molecular Weight764.0
XLogP2.4
Topological Polar Surface Area215
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Heavy Atom Count53
Formal Charge0
Complexity1190
SMILES
CC[C@@H]1[C@@]([C@@H]([C@H](NC[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@@]([C@@H](O2)C)(CN)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O
InChI
InChI=1S/C38H73N3O12/c1-14-27-37(10,46)31(43)24(6)40-18-20(2)16-35(8,45)32(53-34-29(42)26(41(11)12)15-21(3)49-34)22(4)30(23(5)33(44)51-27)52-28-17-36(9,48-13)38(47,19-39)25(7)50-28/h20-32,34,40,42-43,45-47H,14-19,39H2,1-13H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32-,34+,35-,36-,37-,38+/m1/s1
InChIKey
GIDSHODPCXBBQT-NTQLNWHZSA-N
Chemical Structure
2D Structure
2D structure of 5'-Desmethylpropylamine Tulathromycin-5'-methanamine
CAS: 371193-60-1
CID: 71449160
Formula: C38H73N3O12
MW: 764.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight764.0
XLogP32.4
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count15
Rotatable Bond Count8
Exact Mass763.51942477
Monoisotopic Mass763.51942477
Topological Polar Surface Area215 Ų
Heavy Atom Count53
Formal Charge0
Complexity1190
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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