Tylosin 3-Acetate

HCID 71752879
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Basic information

CAS
63409-10-9
Standard SMILES
CC[C@H]1OC(=O)C[C@@H](OC(C)=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/C1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC
InChIKey
SXJMWODQOMKONK-AXZSYZCLSA-N
Molecular formula
C48H79NO18
Average molar mass
958.1 g/mol
Monoisotopic mass
957.52971467

Names & identifiers

Preferred name
Tylosin 3-Acetate
IUPAC
[(4R,5S,6S,7R,9R,11E,13E,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-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-4-yl] acetate

Names & synonyms

Tylosin 3-Acetate3-O-Acetyltylosin63409-10-9[(4R,5S,6S,7R,9R,11E,13E,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-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-4-yl] acetateDTXSID70858550MSK7825SXJMWODQOMKONK-AXZSYZCLSA-NMSK7825-10A3-O-Acetyltylosin Solution in Acetonitrile, 10ug/mL(4R,5S,6S,7R,9R,11E,13E,16R)-15-{[(6-Deoxy-2,3-di-O-methyl-beta-D-allopyranosyl)oxy]methyl}-6-{[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranosyl]oxy}-16-ethyl-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl acetate

Database identifiers

CAS
63409-10-9
PubChem CID
71752879
DTXSID
DTXSID70858550

Properties

Computed structural propertiesFilling in

XLogP
1.6
Topological polar surface area
245 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
19
Rotatable bonds
15
Heavy atoms
67

Chemistry & industry

Suppliers9 total

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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