Propargyl-PEG5-NHS ester

CAT: 0127-BIPG1736-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-BIPG1736-01Size:50 mg

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CAS Number

1393330-40-9

MDL Number

MFCD22574798

Purity

98%

Smiles

O=C(CCOCCOCCOCCOCCOCC#C)ON1C(=O)CCC1=O

Chemical Information

4,7,10,13,16-Pentaoxanonadec-18-ynoic acid, 2,5-dioxo-1-pyrrolidinyl ester

CAS Number	1393330-40-9
PubChem CID	60146234
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]propanoate
Molecular Formula	C18H27NO9
Molecular Weight	401.4
XLogP	-1.5
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	18
Heavy Atom Count	28
Formal Charge	0
Complexity	512

SMILES

C#CCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O

InChI

InChI=1S/C18H27NO9/c1-2-6-23-8-10-25-12-14-27-15-13-26-11-9-24-7-5-18(22)28-19-16(20)3-4-17(19)21/h1H,3-15H2

InChIKey

ACZDUKRWTPZVRP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1393330-40-9

CID: 60146234

Formula: C18H27NO9

MW: 401.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	401.4
XLogP3	-1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	18
Exact Mass	401.16858144
Monoisotopic Mass	401.16858144
Topological Polar Surface Area	110 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	512
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
BIPG1735-01	Propargyl-PEG4-NHS ester
OR1002465-01	Propargyl-PEG8-NHS ester
BIPG1734-01	Propargyl-PEG3-NHS ester
OR1036810	Propargyl-PEG6-NHS ester
OR1032098-01	Propargyl-PEG2-NHS ester
BUP10182-01	Propargyl-C1-NHS ester
BUP02127-01	Methyltetrazine-PEG5-NHS ester
BIPG1623-01	M-PEG5-NHS ester
BIPG1266-01	Bis-PEG5-NHS ester
BIPG1000-01	Acid-PEG5-NHS ester

Catalog	Name
T16621-01	Propargyl-PEG5-NHS ester
T39617-01	Propargyl-PEG5-PFP ester
TDC47641-01	Acid-PEG5-NHS ester
572860	Mal-PEG5-NHS ester
572259	DBCO-PEG5-NHS ester
T16060-01	Methyltetrazine-PEG5-NHS ester
HY-174892-01	Biotin-PEG5-NHS ester
HY-171559	TCO-PEG5-NHS ester
MD217025-5	Tetrazine-PEG5-NHS ester
MBS5768680	Bis-PEG5-NHS ester