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SPDP-dPEG®36-Acid

CAT: 0926-DPG-6293-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-DPG-6293-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1334177-97-7
Molecular Formula
C83H158N2O39S2
Molecular Weight
1,872.26 g/mol
Controlled
No

Chemical Information

SPDP-PEG24-acid
CAS Number1334177-97-7
PubChem CID51341027
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC59H110N2O27S2
Molecular Weight1343.6
XLogP-3.1
Topological Polar Surface Area351
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count30
Rotatable Bond Count80
Heavy Atom Count90
Formal Charge0
Complexity1400
SMILES
C1=CC=NC(=C1)SSCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C59H110N2O27S2/c62-57(5-56-89-90-58-3-1-2-6-61-58)60-7-9-66-11-13-68-15-17-70-19-21-72-23-25-74-27-29-76-31-33-78-35-37-80-39-41-82-43-45-84-47-49-86-51-53-88-55-54-87-52-50-85-48-46-83-44-42-81-40-38-79-36-34-77-32-30-75-28-26-73-24-22-71-20-18-69-16-14-67-12-10-65-8-4-59(63)64/h1-3,6H,4-5,7-56H2,(H,60,62)(H,63,64)
InChIKey
PUIVUQZDUBNJOE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SPDP-PEG24-acid
CAS: 1334177-97-7
CID: 51341027
Formula: C59H110N2O27S2
MW: 1343.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1343.6
XLogP3-3.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count30
Rotatable Bond Count80
Exact Mass1342.67373858
Monoisotopic Mass1342.67373858
Topological Polar Surface Area351 Ų
Heavy Atom Count90
Formal Charge0
Complexity1400
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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