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Tylosin tartrate

CAT: 0024-sc-204933DSize: 100 gDry Ice: NoHazardous: No
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CAT#:0024-sc-204933DSize:100 g
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CAS Number
1405-54-5

Chemical Information

Tylosin Tartrate

See also: Tylosin (has active moiety); Estradiol; Trenbolone Acetate; Tylosin Tartrate (component of); Estradiol Benzoate; Progesterone; Tylosin Tartrate (component of) ... View More ...

CAS Number1405-54-5
PubChem CID60196281
IUPAC Name(2R,3R)-2,3-dihydroxybutanedioic acid;2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
Molecular FormulaC50H83NO23
Molecular Weight1066.2
Topological Polar Surface Area354
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count24
Rotatable Bond Count16
Heavy Atom Count74
Formal Charge0
Complexity1700
SMILES
CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)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)O)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/C46H77NO17.C4H6O6/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35;5-1(3(7)8)2(6)4(9)10/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3;1-2,5-6H,(H,7,8)(H,9,10)/b15-14+,23-18+;/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-;1-,2-/m11/s1
InChIKey
ICVKYYINQHWDLM-KBEWXLTPSA-N
Chemical Structure
2D Structure
2D structure of Tylosin Tartrate
CAS: 1405-54-5
CID: 60196281
Formula: C50H83NO23
MW: 1066.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1066.2
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count24
Rotatable Bond Count16
Exact Mass1065.53558789
Monoisotopic Mass1065.53558789
Topological Polar Surface Area354 Ų
Heavy Atom Count74
Formal Charge0
Complexity1700
Isotope Atom Count0
Defined Atom Stereocenter Count23
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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