Salinomycin

CAT: 0127-BIM0200-02Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0127-BIM0200-02Size:500 mg

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CAS Number

53003-10-4

Synonyms

Salinomycin from Streptomyces albus, =98%

MDL Number

MFCD25541652

Purity

98%

Smiles

CC[C@H]([C@H]1CC[C@H](C)[C@@H](O1)[C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@@]3(O[C@@]4(CC[C@](C)(O4)[C@H]5CC[C@](O)(CC)[C@H](C)O5)[C@H](O)C=C3)[C@H](C)C[C@@H]2C)C(=O)O

Chemical Information

Salinomycin

Salinomycin is a polyketide and a spiroketal. It has a role as an animal growth promotant and a potassium ionophore.

CAS Number	53003-10-4
PubChem CID	3085092
IUPAC Name	(2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5S,7R,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoic acid
Molecular Formula	C42H70O11
Molecular Weight	751.0
XLogP	5.7
Topological Polar Surface Area	161
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	12
Heavy Atom Count	53
Formal Charge	0
Complexity	1320

SMILES

CC[C@H]([C@H]1CC[C@@H]([C@@H](O1)[C@@H](C)[C@@H]([C@H](C)C(=O)[C@H](CC)[C@@H]2[C@H](C[C@H]([C@]3(O2)C=C[C@H]([C@@]4(O3)CC[C@@](O4)(C)[C@H]5CC[C@@]([C@@H](O5)C)(CC)O)O)C)C)O)C)C(=O)O

InChI

InChI=1S/C42H70O11/c1-11-29(38(46)47)31-15-14-23(4)36(50-31)27(8)34(44)26(7)35(45)30(12-2)37-24(5)22-25(6)41(51-37)19-16-32(43)42(53-41)21-20-39(10,52-42)33-17-18-40(48,13-3)28(9)49-33/h16,19,23-34,36-37,43-44,48H,11-15,17-18,20-22H2,1-10H3,(H,46,47)/t23-,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34+,36+,37-,39-,40+,41-,42-/m0/s1

InChIKey

KQXDHUJYNAXLNZ-XQSDOZFQSA-N

Chemical Structure

2D Structure

CAS: 53003-10-4

CID: 3085092

Formula: C42H70O11

MW: 751.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	751.0
XLogP3	5.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	12
Exact Mass	750.49181304
Monoisotopic Mass	750.49181304
Topological Polar Surface Area	161 Å²
Heavy Atom Count	53
Formal Charge	0
Complexity	1320
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
S001-5MG	Salinomycin

Salinomycin

Chemical Information

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