Tulathromycin A

CAT: 0607-A3896-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-A3896-50Size:50 mg

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Description

Triamilide antimicrobial

CAS Number

217500-96-4

Product Name Alternative

11-((4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-ethyl-3,4,10-trihydroxy-13-((5-hydroxy-4-methoxy-4,6-dimethyl-5-((propylamino)methyl)tetrahydro-2H-pyran-2-yl)oxy)-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one

Sequence

Tulathromycin;Draxxin;CP 472295

Field of Research

Microbiology & Virology Antibiotic

Purity

0.98

Form

A solid

Solubility

≥24.1 mg/mL in DMSO; insoluble in H2O; ≥96.8 mg/mL in EtOH

Smiles

CCCNCC1(O)C(C)OC(OC2C(C)C(OC3C(O)C(N(C)C)CC(C)O3)C(C)(O)CC(C)CNC(C)C(O)C(C)(O)C(CC)OC(C2C)=O)CC1(OC)C

Molecular Formula

C41H79N3O12

Molecular Weight

806.08

Shipping Conditions

Blue ice

Storage Conditions

Store at -20°C.

Chemical Information

Tulathromycin

Tulathromycin A is a macrolide antibiotic.

CAS Number	217500-96-4
PubChem CID	9832301
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-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyl-5-(propylaminomethyl)oxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
Molecular Formula	C41H79N3O12
Molecular Weight	806.1
XLogP	3.8
Topological Polar Surface Area	201
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	11
Heavy Atom Count	56
Formal Charge	0
Complexity	1240

SMILES

CCCNC[C@@]1([C@@H](O[C@H](C[C@@]1(C)OC)O[C@H]2[C@@H]([C@H]([C@](C[C@H](CN[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]2C)CC)(C)O)O)C)C)(C)O)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)C)C)O

InChI

InChI=1S/C41H79N3O12/c1-15-17-42-22-41(50)28(8)53-31(20-39(41,10)51-14)55-33-25(5)35(56-37-32(45)29(44(12)13)18-24(4)52-37)38(9,48)19-23(3)21-43-27(7)34(46)40(11,49)30(16-2)54-36(47)26(33)6/h23-35,37,42-43,45-46,48-50H,15-22H2,1-14H3/t23-,24-,25+,26-,27-,28+,29+,30-,31+,32-,33+,34-,35-,37+,38-,39-,40-,41+/m1/s1

InChIKey

GUARTUJKFNAVIK-QPTWMBCESA-N

Chemical Structure

2D Structure

CAS: 217500-96-4

CID: 9832301

Formula: C41H79N3O12

MW: 806.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	806.1
XLogP3	3.8
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	11
Exact Mass	805.56637496
Monoisotopic Mass	805.56637496
Topological Polar Surface Area	201 Å²
Heavy Atom Count	56
Formal Charge	0
Complexity	1240
Isotope Atom Count	0
Defined Atom Stereocenter Count	18
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
T107-1G	Tulathromycin A

Tulathromycin A

Chemical Information

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