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Tylvalosin

CAT: 1596-AR-T03163-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T03163-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
63409-12-1
Synonyms
3-Acetate 4B- (3-methylbutanoate) -tylosin; 3-O-Acetyl-4''-O-isovaleryltylosin; Acetylisovaleryltylosin
Molecular Formula
C53H87NO19
Molecular Weight
1042.28
API Name
Tylosin

Chemical Information

Tylvalosin
CAS Number63409-12-1
PubChem CID6441094
IUPAC Name[(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6R)-6-[[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-4-acetyloxy-16-ethyl-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate
Molecular FormulaC53H87NO19
Molecular Weight1042.3
XLogP3.4
Topological Polar Surface Area251
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count20
Rotatable Bond Count19
Heavy Atom Count73
Formal Charge0
Complexity1860
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)OC(=O)C)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)OC(=O)CC(C)C)(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
InChI
InChI=1S/C53H87NO19/c1-16-38-36(26-65-52-49(64-15)48(63-14)44(60)31(7)67-52)22-28(4)17-18-37(57)29(5)23-35(19-20-55)46(30(6)39(69-34(10)56)24-41(59)70-38)73-51-45(61)43(54(12)13)47(32(8)68-51)72-42-25-53(11,62)50(33(9)66-42)71-40(58)21-27(2)3/h17-18,20,22,27,29-33,35-36,38-39,42-52,60-62H,16,19,21,23-26H2,1-15H3/b18-17+,28-22+/t29-,30+,31-,32-,33+,35+,36-,38-,39-,42+,43-,44-,45-,46-,47-,48-,49-,50+,51+,52-,53-/m1/s1
InChIKey
KCJJINQANFZSAM-HZDSEHBESA-N
Chemical Structure
2D Structure
2D structure of Tylvalosin
CAS: 63409-12-1
CID: 6441094
Formula: C53H87NO19
MW: 1042.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1042.3
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count20
Rotatable Bond Count19
Exact Mass1041.58722955
Monoisotopic Mass1041.58722955
Topological Polar Surface Area251 Ų
Heavy Atom Count73
Formal Charge0
Complexity1860
Isotope Atom Count0
Defined Atom Stereocenter Count21
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
167005-01Tylvalosin
464768Tylvalosin tartrate
HY-128423-01Tylvalosin (tartrate)
TRC-T898211-1MGTylvalosin (>90%)
468377-01Tylvalosin-d9
TRC-T634280-250MGTylvalosin Tartrate (>80%)

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