PEG4-SPDP

CAT: 0926-FCC05343-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-FCC05343-01Size:250 mg

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

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CAS Number

1305053-43-3

MDL Number

MFCD20228987

Smiles

C1CC (=O) N (C1=O) OC (=O) CCOCCOCCOCCOCCSSC2=CC=CC=N2

Molecular Formula

C20H28N2O8S2

Molecular Weight

488.6 g/mol

Controlled

Chemical Information

Peg4-spdp

CAS Number	1305053-43-3
PubChem CID	53248045
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(pyridin-2-yldisulfanyl)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular Formula	C20H28N2O8S2
Molecular Weight	488.6
XLogP	0.1
Topological Polar Surface Area	164
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	19
Heavy Atom Count	32
Formal Charge	0
Complexity	554

SMILES

C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCSSC2=CC=CC=N2

InChI

InChI=1S/C20H28N2O8S2/c23-18-4-5-19(24)22(18)30-20(25)6-8-26-9-10-27-11-12-28-13-14-29-15-16-31-32-17-3-1-2-7-21-17/h1-3,7H,4-6,8-16H2

InChIKey

AZXJOPLHLVNPKQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1305053-43-3

CID: 53248045

Formula: C20H28N2O8S2

MW: 488.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	488.6
XLogP3	0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	19
Exact Mass	488.12870820
Monoisotopic Mass	488.12870820
Topological Polar Surface Area	164 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	554
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