AG00ELI7

608-16-2 | Biotin methyl ester

AG00ELI7

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CAS Number	608-16-2
Catalog Number	AG00ELI7(AGN-PC-0SXUYZ)
Chemical Name	Biotin methyl ester
IUPAC Name	methyl 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate
InChI	InChI=1S/C11H18N2O3S/c1-16-9(14)5-3-2-4-8-10-7(6-17-8)12-11(15)13-10/h7-8,10H,2-6H2,1H3,(H2,12,13,15)/t7-,8-,10-/m0/s1
InChI Key	BHEWJAXNLVWPSC-NRPADANISA-N
MDL Number	MFCD27578197
Molecular Formula	C11H18N2O3S
Molecular Weight	258.3372
SMILES	O=C1N[C@@]([H])([C@]([H])(CS2)N1)[C@@H]2CCCCC(OC)=O
UNII	H3S7E3P0H6
Synonyms	biotin methyl ester, Biotin methyl ester, 608-16-2, D-(+)-Biotin methyl ester, UNII-H3S7E3P0H6, (+)-biotin methyl ester, H3S7E3P0H6, methyl 5-[(3as,4s,6ar)-2-oxohexahydro-1h-thieno[3,4-d]imidazol-4-yl]pentanoate, 60562-11-0, Biotin methyl, methyl 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate, d-biotin methyl ester, AC1Q6FUE, AC1L36CF, SCHEMBL132274, CHEMBL1395982, CTK5B1736, BHEWJAXNLVWPSC-NRPADANISA-N, ZINC5224322, MFCD27578197, AKOS024282763, ACN-051034, GS-5676, NCGC00142566-01, ST058428, FT-0772216, methyl 5-((1S,2S,5R)-7-oxo-3-thia-6,8-diazabicyclo[3.3.0]oct-2-yl)pentanoate, methyl 5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate, METHYL 5-[(3AS,4S,6AR)-2-OXO-HEXAHYDROTHIENO[3,4-D]IMIDAZOLIDIN-4-YL]PENTANOATE, 1H-Thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, methyl ester, (3aalpha,4beta,6aalpha)-(+-)-, 1H-Thieno[3,4-d]imidazole-4-pentanoicacid, hexahydro-2-oxo-, methyl ester, (3aR,4R,6aS)-rel-, methyl 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate, Biotin, methyl ester, CID83871, AR-1J5520, methyl 5-((3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate, Methyl 5-((3aR,4R,6aS)-rel-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate, 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, methyl ester, [3aS-(3a.alpha.,4.beta.,6a.alpha.)]-, 6259-53-6,

Complexity	311
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	258.104g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	258.336g/mol
Monoisotopic Mass	258.104g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	92.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

Lot Number