mupirocin

mupirocin

CAS: 12650-69-0

Formula: C26H44O9

SMILES: [H][C@]1(O[C@H]1C[C@@]1([H])CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]1O)[C@@H](C)[C@H](C)O

IUPAC: 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

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

Composition: C (62.38%), H (8.86%), O (28.76%)

Molar Mass: 500.629

Atom Count: 79

Heavy Atom Count: 35

Properties

Properties

Common Names	14C labeled mupirocin; 14C-labeled mupirocin; 14c labeled mupirocin; 14c-labeled mupirocin; MRC; acid, pseudomonic; bactoderm; bactroban; bactroban nasal; calcium salt (2:1) mupirocin; centany; lithium salt mupirocin; mupirocin; mupirocin (product); mupirocin (substance); mupirocin preparation; mupirocin, 14C labeled; mupirocin, 14C-labeled; mupirocin, 14c labeled; mupirocin, 14c-labeled; mupirocin, calcium salt (2:1); mupirocin, calcium salt (2:1), dihydrate; mupirocin, lithium salt; mupirocin, sodium salt; mupirocina; mupirocine; mupirocinum; plasimine; pseudomonic acid; pseudomonic acid A; pseudomonic acid a; sodium salt mupirocin; turixin
Aromatic Ring Count	0
Asymmetric Atom Count	8
Exact Mass	500.298532997
Formal Charge	0
FSP3	0.85
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	4
InChIKey	MINDHVHHQZYEEK-HBBNESRFSA-N
Lipinski's Rule of Five
Molar Refractivity	129.39
Topological Polar Surface Area	146.05
Polarizability	51.54
Ring Count	2
Rotatable Bond Count	17

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98.34%	<7 Days	12650-69-0		$35.53-$157.08$35.53$56.10$157.08