Boc-C16-NHS ester

CAT: 0127-OR1038944-02Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1038944-02Size:1 g

Selected

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

Quick Request Actions

CAS Number

843666-34-2

MDL Number

MFCD29923003

Purity

95%

Smiles

O=C(OC(C)(C)C)CCCCCCCCCCCCCCCCC(ON1C(CCC1=O)=O)=O

Chemical Information

1-tert-Butyl 18-(2,5-dioxopyrrolidin-1-yl) octadecanedioate

CAS Number	843666-34-2
PubChem CID	58249213
IUPAC Name	1-O-tert-butyl 18-O-(2,5-dioxopyrrolidin-1-yl) octadecanedioate
Molecular Formula	C26H45NO6
Molecular Weight	467.6
XLogP	7.2
Topological Polar Surface Area	90
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	21
Heavy Atom Count	33
Formal Charge	0
Complexity	594

SMILES

CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O

InChI

InChI=1S/C26H45NO6/c1-26(2,3)32-24(30)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-25(31)33-27-22(28)20-21-23(27)29/h4-21H2,1-3H3

InChIKey

JTOVMMPSILRQQJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 843666-34-2

CID: 58249213

Formula: C26H45NO6

MW: 467.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	467.6
XLogP3	7.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	21
Exact Mass	467.32468816
Monoisotopic Mass	467.32468816
Topological Polar Surface Area	90 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	594
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
MBS5770521	Boc-C16-NHS ester
HY-141120-01	Boc-NH-PEG10-NHS ester
MBS5770549	Boc-NH-PEG3-NHS ester
MBS5770558	Boc-PEG4-C2-NHS ester
GTR19261111-01	Boc-NH-PEG11-NHS ester
MBS5775978	Boc-NH-PEG4-NHS ester
GTR19253467-01	Boc-Gly-Gly-NHS ester
HY-W591977-01	Boc-5-aminopentanoic NHS ester
HY-140417-01	T-Boc-Aminooxy-PEG4-NHS ester
GTR19216339	Boc-C16-COOH