Mal-amido-PEG3-acid

CAT: 0127-OR1033597-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1033597-01Size:100 mg

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CAS Number

2055353-75-6

Purity

98%

Smiles

O=C(O)CCOCCOCCOCCNC(CCN1C(C=CC1=O)=O)=O

Chemical Information

Mal-amido-PEG3-acid

CAS Number	2055353-75-6
PubChem CID	134600056
IUPAC Name	3-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular Formula	C16H24N2O8
Molecular Weight	372.37
XLogP	-1.2
Topological Polar Surface Area	131
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	15
Heavy Atom Count	26
Formal Charge	0
Complexity	502

SMILES

C1=CC(=O)N(C1=O)CCC(=O)NCCOCCOCCOCCC(=O)O

InChI

InChI=1S/C16H24N2O8/c19-13(3-6-18-14(20)1-2-15(18)21)17-5-8-25-10-12-26-11-9-24-7-4-16(22)23/h1-2H,3-12H2,(H,17,19)(H,22,23)

InChIKey

VRSINYAEWCLYBF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2055353-75-6

CID: 134600056

Formula: C16H24N2O8

MW: 372.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	372.37
XLogP3	-1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	15
Exact Mass	372.15326573
Monoisotopic Mass	372.15326573
Topological Polar Surface Area	131 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	502
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