AG000SV0

12650-69-0 | L-talo-Non-2-enonic acid, 5,9-anhydro-2,3,4,8-tetradeoxy-8-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methylpropyl]oxiranyl]methyl]-3-methyl-, 8-carboxyoctyl ester, (2E)-

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CAS Number	12650-69-0
Catalog Number	AG000SV0(AGN-PC-0PIC8O)
Chemical Name	L-talo-Non-2-enonic acid, 5,9-anhydro-2,3,4,8-tetradeoxy-8-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methylpropyl]oxiranyl]methyl]-3-methyl-, 8-carboxyoctyl ester, (2E)-
EC Number	603-145-3
IUPAC Name	9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoic acid
InChI	InChI=1S/C26H44O9/c1-16(13-23(30)33-11-9-7-5-4-6-8-10-22(28)29)12-20-25(32)24(31)19(15-34-20)14-21-26(35-21)17(2)18(3)27/h13,17-21,24-27,31-32H,4-12,14-15H2,1-3H3,(H,28,29)/b16-13+/t17-,18-,19-,20-,21-,24+,25-,26-/m0/s1
InChI Key	MINDHVHHQZYEEK-HBBNESRFSA-N
MDL Number	MFCD01711620
Molecular Formula	C26H44O9
Molecular Weight	500.6222
NSC Number	759182
SMILES	O=C(O)CCCCCCCCOC(/C=C(C)/C[C@H]1[C@H](O)[C@H](O)[C@@H](C[C@@H]2O[C@H]2[C@H]([C@@H](O)C)C)CO1)=O
UNII	D0GX863OA5
Synonyms	14C-Labeled Mupirocin, Bactroban, BRL 4910A, BRL-4910A, BRL4910A, Mupirocin, Mupirocin Calcium, Mupirocin, 14C Labeled, Mupirocin, 14C-Labeled, Mupirocin, Calcium Salt (2:1), Mupirocin, Calcium Salt (2:1), Dihydrate, Mupirocin, Lithium Salt, Mupirocin, Sodium Salt, Pseudomonic Acid, Pseudomonic Acid A, Mupirocin, Pseudomonic acid, 12650-69-0, Bactroban, Mupirocine, Mupirocinum, Centany, Mupirocina, Pseudomonic acid A, Bactoderm, BRL 4910A, BRL-4910A, Turixin, UNII-D0GX863OA5, Plasimine, Bactroban Nasal, Bactroban (TN), C26H44O9, Mupirocine [French], Mupirocinum [Latin], CHEMBL719, Mupirocina [Spanish], CHEBI:7025, D0GX863OA5, MRC, 6-Chloro-2,4-dimethoxy pyrimidine, MFCD01711620, 9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl]oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoic acid, NCGC00164554-03, CPD000471888, Bactroban Ointment, Pseudomonic acid A lithium salt, Centany (TN), trans-Pseudomonic acid, Mupirocin Neo-Sensitabs, Mupirocin (USP/INN), SR-05000001947, 8-Carboxyoctyl (E)-4-(2S,3R,4R,5S)-5-((2S,3S,4S,5S)-2,3-epoxy-5-hydroxy-4-methylhexyl)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)-3-methylcrotonat, Mupirocin, 14C-Labeled, 115074-43-6, 1jzs, Mupirocin [USAN:USP:INN:BAN], Mupirocin,(S), (E)-(2S,3R,4R,5S)-5-((2S,3S,4S,5S)-2,3-Epoxy-5-hydroxy-4-methylhexyl)tetrahydro-3,4-dihydroxy-beta-methyl-2H-pyran-2-crotonic acid, ester with 9-hydroxynonanoic acid, 9-((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)tetrahydro-2H-pyran-2-yl)-3-methylbut-2-enoyloxy)nonanoic acid, Mupirocin, 92%, mupirocin lithium salt, 73346-79-9, 9-((E)-4-{(2S,3R,4R,5S)-3,4-Dihydroxy-5-[(2S,3S)-3-((1S,2S)-2-hydroxy-1-methyl-propyl)oxiranylmethyl]tetrahydro-pyran-2-yl}-3-methyl-but-2-enoyloxy)nonanoic acid lithium salt, AC1L9JV4, SCHEMBL3291, DSSTox_CID_26438, DSSTox_RID_81614, DSSTox_GSID_46438, MLS001074711, BIDD:GT0320, Mupirocin, Pseudomonic Acid A, cid_446596, SCHEMBL1027618, DTXSID0046438, CHEBI:94519, AOB6353, MINDHVHHQZYEEK-HBBNESRFSA-N, HMS2234E20, HMS3259L05, HMS3712K03, Pharmakon1600-01505706, HY-B0958, Nonanoic acid, 9-((3-methyl-1-oxo-4-(tetrahydro-3,4-dihydroxy-5-((3-(2-hydroxy-1-methylpropyl)oxiranyl)methyl)-2H-pyran-2-yl)-2-butenyl)oxy)-, (2S-(2alpha(E),3beta,4beta,5alpha(2R*,3R*(1R*,2R*))))-, ZINC4102194, Tox21_112183, BDBM50290686, MFCD11977847, NSC759182, AKOS015994756, Mupirocin, >=92% (HPLC), powder, CCG-213522, DB00410, KS-5137, NC00620, NSC-759182, NCGC00164554-05, AS-11580, BC656995, L-talo-Non-2-enonic acid, 5,9-anhydro-2,3,4,8-tetradeoxy-8-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methylpropyl]oxiranyl]methyl]-3-methyl-, 8-carboxyoctyl ester, (2E)-, SAM002589979, SC-16672, SMR000471888, SBI-0206892.P001, AB0010371, CAS-12650-69-0, LS-177887, M2955, S4297, C11758, D01076, M-8680, AB01563109_01, Mupirocin, Antibiotic for Culture Media Use Only, SR-05000001947-1, SR-05000001947-2, BRD-K15262564-001-06-9, Mupirocin, United States Pharmacopeia (USP) Reference Standard, 5,9-Anhydro-2,3,4,8-tetradeoxy-8-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-3-methyl-[2E,8[2S,3S(1S,2S)]]-L-talonon-2-enonic acid 8-carboxyoctyl ester, 80558-54-9, 9-(((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)tetrahydro-2H-pyran-2-yl)-3-methylbut-2-enoyl)oxy)nonanoic acid, 9-((E)-4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)-tetrahydro-2H-pyran-2-yl)-3-methylbut-2-enoyloxy)nonanoic acid, 9-((E)-4-{(2S,3R,4R,5S)-3,4-Dihydroxy-5-[(2S,3S)-3-((1S,2S)-2-hydroxy-1-methyl-propyl)-oxiranylmethyl]-tetrahydro-pyran-2-yl}-3-methyl-but-2-enoyloxy)-nonanoic acid, 9-((E)-4-{(2S,3R,4R,5S)-3,4-Dihydroxy-5-[(2S,3S)-3-((1S,2S)-2-hydroxy-1-methyl-propyl)oxiranylmethyl]tetrahydro-pyran-2-yl}-3-methyl-but-2-enoyloxy)nonanoic acid calcium salt, 9-({(2E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)tetrahydro-2H-pyran-2-yl]-3-methylbut-2-enoyl}oxy)nonanoic acid, 9-(4-((2S,3R,4R,5S)-3,4-dihydroxy-5-(((2S,3S)-3-((2S,3S)-3-hydroxybutan-2-yl)oxiran-2-yl)methyl)-tetrahydro-2H-pyran-2-yl)-3-methylbut-2-enoyloxy)nonanoic acid, 9-(4-{3,4-Dihydroxy-5-[3-(2-hydroxy-1-methyl-propyl)-oxiranylmethyl]-tetrahydro-pyran-2-yl}-3-methyl-but-2-enoyloxy)-nonanoic acid (Mupirocin), 9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3- [(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl] oxan-2-yl]-3-methylbut-2-enoyl]oxynonanoic acid, 9-[(E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S,3S)-3-[(1S,2S)-2-hydroxy-1-methyl-propyl]oxiran-2-yl]methyl]tetrahydropyran-2-yl]-3-methyl-but-2-enoyl]oxynonanoic acid, 9-{[(2E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-{[(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl]methyl}oxan-2-yl]-3-methylbut-2-enoyl]oxy}nonanoic acid, mupricin, Mupirocin calcium, mupirocin calcium salt, C6H7ClN2O2, D03JSJ, Mupirocin [USAN:BAN:INN], Mupirocin [USAN:INN:BAN], CID446596, ACN-032046, C26-H44-O9, CS-4264, CS-O-30643, B4872, 6320-15-6, 5,9-Anhydro-2,3,4,8-tetradeoxy-8-[[3-(2-hydroxy-1-methylpropyl)oxiranyl]methyl]-3-methyl-[2E,8[2S,3S(1S,2S), MUP,

Complexity	694
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	1
Exact Mass	500.299g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	500.629g/mol
Monoisotopic Mass	500.299g/mol
Rotatable Bond Count	17
Topological Polar Surface Area	146A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P261-P280
UN Code

Certificate of Analysis

Lot Number