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NHS-PEG (4) -[PEG (8) -OMe]3

CAT: 0926-IDC15474Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0926-IDC15474Size:500 mg
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CAS Number
1333154-74-7
MDL Number
MFCD18427343
Smiles
COCCC (=O) NCCOCCOCCOCCOCCOCCOCCOCCOCC (COCCOCCOCCOCCOCCOCCOCCOCCNC (=O) CCOC) (COCCOCCOCCOCCOCCOCCOCCOCCNC (=O) CCOC) NC (=O) CCOCCOCCOCCOCCNC (=O) CCCC (=O) ON1C (=O) CCC1=O
Molecular Formula
C84H158N6O40
Molecular Weight
1,892.2 g/mol
Controlled
No

Chemical Information

Succinimidyl-PEG(4)-[PEG(8)-OMe]3
CAS Number1333154-74-7
PubChem CID121234024
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 5-[2-[2-[2-[2-[3-[[1,3-bis[2-[2-[2-[2-[2-[2-[2-[2-(3-methoxypropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methoxypropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]propan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-5-oxopentanoate
Molecular FormulaC84H158N6O40
Molecular Weight1892.2
XLogP-8.9
Topological Polar Surface Area495
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count40
Rotatable Bond Count109
Heavy Atom Count130
Formal Charge0
Complexity2370
SMILES
COCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCC(COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCOC)(COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCOC)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C84H158N6O40/c1-99-17-9-77(92)86-14-22-104-27-32-109-37-40-112-43-46-115-49-52-118-55-58-121-61-64-124-67-70-127-73-84(74-128-71-68-125-65-62-122-59-56-119-53-50-116-47-44-113-41-38-110-33-28-105-23-15-87-78(93)10-18-100-2,75-129-72-69-126-66-63-123-60-57-120-54-51-117-48-45-114-42-39-111-34-29-106-24-16-88-79(94)11-19-101-3)89-80(95)12-20-102-25-30-107-35-36-108-31-26-103-21-13-85-76(91)5-4-6-83(98)130-90-81(96)7-8-82(90)97/h4-75H2,1-3H3,(H,85,91)(H,86,92)(H,87,93)(H,88,94)(H,89,95)
InChIKey
PBOIXLBDYFZCBL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Succinimidyl-PEG(4)-[PEG(8)-OMe]3
CAS: 1333154-74-7
CID: 121234024
Formula: C84H158N6O40
MW: 1892.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1892.2
XLogP3-8.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count40
Rotatable Bond Count109
Exact Mass1891.0513838
Monoisotopic Mass1891.0513838
Topological Polar Surface Area495 Ų
Heavy Atom Count130
Formal Charge0
Complexity2370
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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