Mal-PEG3-t-butyl ester

CAT: 0127-BIPG1516-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BIPG1516-01Size:100 mg

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CAS Number

518044-35-4

MDL Number

MFCD23726622

Smiles

CC(C)(C)OC(=O)CCOCCOCCOCCN1C(=O)C=CC1=O

Chemical Information

Mal-PEG3-t-butyl ester

CAS Number	518044-35-4
PubChem CID	77078456
IUPAC Name	tert-butyl 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoate
Molecular Formula	C17H27NO7
Molecular Weight	357.4
XLogP	-0.2
Topological Polar Surface Area	91.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	14
Heavy Atom Count	25
Formal Charge	0
Complexity	464

SMILES

CC(C)(C)OC(=O)CCOCCOCCOCCN1C(=O)C=CC1=O

InChI

InChI=1S/C17H27NO7/c1-17(2,3)25-16(21)6-8-22-10-12-24-13-11-23-9-7-18-14(19)4-5-15(18)20/h4-5H,6-13H2,1-3H3

InChIKey

GBAIKTRBCFEELB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 518044-35-4

CID: 77078456

Formula: C17H27NO7

MW: 357.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	357.4
XLogP3	-0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	14
Exact Mass	357.17875220
Monoisotopic Mass	357.17875220
Topological Polar Surface Area	91.4 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	464
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
572871	Mal-PEG3-t-butyl ester
WHC28239	Thiol-PEG3-t-butyl ester
HXC53906-01	Acid-PEG3-t-butyl ester
571922	Aminooxy-PEG3-t-butyl ester
MBS5800099	Methylamino-PEG3-t-butyl ester
sc-496269	Azido-PEG3-t-butyl ester
572571	m-PEG3-t-butyl ester
571807	Amino-PEG3-t-butyl ester
sc-496225	Tos-PEG3-t-butyl ester
sc-498220	Propargyl-PEG3-t-butyl ester