Iodoacetamido-PEG3-NHS ester

CAT: 0127-BIPG2450-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BIPG2450-01Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2512227-27-7

Purity

95%

Smiles

C1CC (=O) N (C1=O) OC (=O) CCOCCOCCOCCNC (=O) CI

Chemical Information

Iodoacetamido-PEG3-NHS ester

CAS Number	2512227-27-7
PubChem CID	156026715
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[(2-iodoacetyl)amino]ethoxy]ethoxy]ethoxy]propanoate
Molecular Formula	C15H23IN2O8
Molecular Weight	486.26
XLogP	-1.3
Topological Polar Surface Area	120
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	15
Heavy Atom Count	26
Formal Charge	0
Complexity	472

SMILES

C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCNC(=O)CI

InChI

InChI=1S/C15H23IN2O8/c16-11-12(19)17-4-6-24-8-10-25-9-7-23-5-3-15(22)26-18-13(20)1-2-14(18)21/h1-11H2,(H,17,19)

InChIKey

YEJJXRYBSIFYDB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2512227-27-7

CID: 156026715

Formula: C15H23IN2O8

MW: 486.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	486.26
XLogP3	-1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	15
Exact Mass	486.04991
Monoisotopic Mass	486.04991
Topological Polar Surface Area	120 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	472
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