AG005JT7

721431-18-1 | 15-[D-(+)-Biotinylamino]-4,7,10,13-tetraoxapentadecanoic acid

AG005JT7

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CAS Number	721431-18-1
Catalog Number	AG005JT7(AGN-PC-0TZZOD)
Chemical Name	15-[D-(+)-Biotinylamino]-4,7,10,13-tetraoxapentadecanoic acid
IUPAC Name	3-[2-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
InChI	InChI=1S/C21H37N3O8S/c25-18(4-2-1-3-17-20-16(15-33-17)23-21(28)24-20)22-6-8-30-10-12-32-14-13-31-11-9-29-7-5-19(26)27/h16-17,20H,1-15H2,(H,22,25)(H,26,27)(H2,23,24,28)/t16-,17-,20-/m0/s1
InChI Key	GYOXFFWLRKVJJX-ZWOKBUDYSA-N
MDL Number	MFCD08457831
Molecular Formula	C21H37N3O8S
Molecular Weight	491.5988
SMILES	O=C(O)CCOCCOCCOCCOCCNC(CCCC[C@H]1[C@]([H])([C@]([H])(CS1)N2)NC2=O)=O
Synonyms	721431-18-1, Biotin-PEG4-Acid, Biotin-Dpeg(4)-Cooh, 15-[D(+)-BIOTINYLAMINO]-4,7,10,13-TETRAOXAPENTADECANOIC ACID, 15-[D-(+)-Biotinylamino]-4,7,10,13-tetraoxapentadecanoic acid, AK186349, (+)-Biotin-PEG24-CH2CH2COOH, (+)-Biotin-PEG4-acid, Biotin-peg4-propionic acid, (+)-Biotin-PEG4-COOH, SCHEMBL518031, BIPG1199, C21H37N3O8S, CTK2H6518, DTXSID30589237, (+)-Biotin-PEG4-CH2CH2COOH, 6185AH, MFCD08457831, ZINC14632715, AKOS025404045, AS-54499, BP-20607, RT-006565, A-8064, W-203624, 15-Biotinamino-4,7,10,13-tetraoxa-pentadecanoic acid, 15-[5-[(3aS,3abeta,6abeta)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4alpha-yl]pentanoylamino]-4,7,10,13-tetraoxapentadecanoic acid, 17-Oxo-21-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-4,7,10,13-tetraoxa-16-azahenicosan-1-oic acid, 4,7,10,13-Tetraoxa-16-azaheneicosanoicacid, 21-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-17-oxo-, 15-[D -BIOTINYLAMINO]-4,7,10,13-TETRAOXAPENTADECANOICACID, 21-[(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-17-oxo-4,7,10,13-tetraoxa-16-azaheneicosanoic acid,

Complexity	598
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	491.23g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	491.6g/mol
Monoisotopic Mass	491.23g/mol
Rotatable Bond Count	20
Topological Polar Surface Area	170A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number