AG00HSWP

1334177-95-5 | N-[3-(o-Pyridyldisulfido)propanoyl]-15-amino-4,7,10,13-tetraoxa-pentadecanoyl succinimidyl ester

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CAS Number	1334177-95-5
Catalog Number	AG00HSWP(AGN-PC-0WGE51)
Chemical Name	N-[3-(o-Pyridyldisulfido)propanoyl]-15-amino-4,7,10,13-tetraoxa-pentadecanoyl succinimidyl ester
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
InChI	InChI=1S/C23H33N3O9S2/c27-19(7-18-36-37-20-3-1-2-8-25-20)24-9-11-32-13-15-34-17-16-33-14-12-31-10-6-23(30)35-26-21(28)4-5-22(26)29/h1-3,8H,4-7,9-18H2,(H,24,27)
InChI Key	QTVBGVZVUCIFAH-UHFFFAOYSA-N
MDL Number	MFCD13185001
Molecular Formula	C23H33N3O9S2
Molecular Weight	559.6528
SMILES	O=C(NCCOCCOCCOCCOCCC(ON1C(CCC1=O)=O)=O)CCSSC2=CC=CC=N2
Synonyms	Opss-peg(4)-nhs, 1334177-95-5, N-[3-(o-Pyridyldisulfido)propanoyl]-15-amino-4,7,10,13-tetraoxa-pentadecanoyl succinimidyl ester, SPDP-dPEG(R)4-NHS ester, BIPG1778, SCHEMBL12107853, MFCD13185001, AKOS030213533, ZINC104530359, BP-21932, 15-[3-[(2-Pyridyl)dithio]propanoylamino]-4,7,10,13-tetraoxapentadecanoic acid succinimidyl ester, SPDP-PEG4-NHS ester,

Complexity	686
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	559.166g/mol
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	559.649g/mol
Monoisotopic Mass	559.166g/mol
Rotatable Bond Count	22
Topological Polar Surface Area	193A^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-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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