SPDP-dPEG®24-Acid

CAT: 0926-DPG-6291-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-DPG-6291-01Size:100 mg

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

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CAS Number

1334178-02-7

Smiles

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC (=O) CCOCC (COCCC (=O) NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC) (COCCC (=O) NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC) NC (=O) CCOCCOCCOCCOCCN

Molecular Formula

C99H197N5O47

Molecular Weight

2,209.63 g/mol

Controlled

Chemical Information

Amino-PEG(4)-[PEG(12)-OMe]3

CAS Number	1334178-02-7
PubChem CID	51340922
IUPAC Name	3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-[1,3-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]propan-2-yl]propanamide
Molecular Formula	C99H197N5O47
Molecular Weight	2209.6
XLogP	-10.2
Topological Polar Surface Area	539
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	48
Rotatable Bond Count	138
Heavy Atom Count	151
Formal Charge	0
Complexity	2400

SMILES

COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)(COCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)NC(=O)CCOCCOCCOCCOCCN

InChI

InChI=1S/C99H197N5O47/c1-109-20-23-117-36-39-125-50-53-131-62-65-137-74-77-143-86-89-146-83-80-140-71-68-134-59-56-128-47-44-122-33-28-114-17-9-101-95(105)4-13-149-92-99(104-98(108)7-12-112-26-31-120-42-43-121-32-27-113-16-8-100,93-150-14-5-96(106)102-10-18-115-29-34-123-45-48-129-57-60-135-69-72-141-81-84-147-90-87-144-78-75-138-66-63-132-54-51-126-40-37-118-24-21-110-2)94-151-15-6-97(107)103-11-19-116-30-35-124-46-49-130-58-61-136-70-73-142-82-85-148-91-88-145-79-76-139-67-64-133-55-52-127-41-38-119-25-22-111-3/h4-94,100H2,1-3H3,(H,101,105)(H,102,106)(H,103,107)(H,104,108)

InChIKey

KCJBSMJNUXZQNA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1334178-02-7

CID: 51340922

Formula: C99H197N5O47

MW: 2209.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	2209.6
XLogP3	-10.2
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	48
Rotatable Bond Count	138
Exact Mass	2209.3212432
Monoisotopic Mass	2208.3178884
Topological Polar Surface Area	539 Å²
Heavy Atom Count	151
Formal Charge	0
Complexity	2400
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

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