Mal-PEG3-NHS

CAT: 0926-MLC89236-02Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-MLC89236-02Size:250 mg

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CAS Number

1537892-36-6

MDL Number

MFCD26127782

Smiles

C1CC (=O) N (C1=O) OC (=O) CCOCCOCCOCCN2C (=O) C=CC2=O

Molecular Formula

C17H22N2O9

Molecular Weight

398.36 g/mol

Controlled

Chemical Information

Mal-PEG3-NHS ester

CAS Number	1537892-36-6
PubChem CID	77078335
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]propanoate
Molecular Formula	C17H22N2O9
Molecular Weight	398.4
XLogP	-2
Topological Polar Surface Area	129
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	14
Heavy Atom Count	28
Formal Charge	0
Complexity	613

SMILES

C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCN2C(=O)C=CC2=O

InChI

InChI=1S/C17H22N2O9/c20-13-1-2-14(21)18(13)6-8-26-10-12-27-11-9-25-7-5-17(24)28-19-15(22)3-4-16(19)23/h1-2H,3-12H2

InChIKey

IIXXEVQHRSMNOB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1537892-36-6

CID: 77078335

Formula: C17H22N2O9

MW: 398.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	398.4
XLogP3	-2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	14
Exact Mass	398.13253028
Monoisotopic Mass	398.13253028
Topological Polar Surface Area	129 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	613
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
MD141025-3	Mal-PEG3-NHS
sc-498193	Mal-PEG3-NHS ester
MD022023-3	Mal-NH-PEG3-NHS
T39451-01	Mal-amido-PEG3-NHS ester
T39714-01	Mal-PEG3-C1-NHS ester
T39537-01	Mal-amido-PEG3-C1-NHS ester
MBS5799997	Mal-amido-PEG3-C1-?NHS ester
MD023023-3	NHS-PEG3-NHS
516875	Mal-Peg3-Alcohol (Mal-peg3-alcohol)
abx085447-01	Mal-NH-PEG3-NH-Mal