MPEG6-Mal

CAT: 0926-FM72928-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-FM72928-01Size:25 mg

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CAS Number

1644231-07-1

MDL Number

MFCD27977520

Smiles

COCCOCCOCCOCCOCCOCCNC (=O) CCN1C (=O) C=CC1=O

Molecular Formula

C20H34N2O9

Molecular Weight

446.49 g/mol

Controlled

Chemical Information

mPEG6-Mal

CAS Number	1644231-07-1
PubChem CID	77078254
IUPAC Name	3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
Molecular Formula	C20H34N2O9
Molecular Weight	446.5
XLogP	-1.1
Topological Polar Surface Area	122
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	21
Heavy Atom Count	31
Formal Charge	0
Complexity	525

SMILES

COCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O

InChI

InChI=1S/C20H34N2O9/c1-26-8-9-28-12-13-30-16-17-31-15-14-29-11-10-27-7-5-21-18(23)4-6-22-19(24)2-3-20(22)25/h2-3H,4-17H2,1H3,(H,21,23)

InChIKey

BPYWOIZSFVKCGV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1644231-07-1

CID: 77078254

Formula: C20H34N2O9

MW: 446.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	446.5
XLogP3	-1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	21
Exact Mass	446.22643067
Monoisotopic Mass	446.22643067
Topological Polar Surface Area	122 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	525
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