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PEG (n=20)

CAT: 1596-AR-E02074-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E02074-01Size:10 Units
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CAS Number
351342-08-0
Synonyms
3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontane-1,59-diol; PEG21; 3, ?6, ?9, ?12, ?15, ?18, ?21, ?24, ?27, ?30, ?33, ?36, ?39, ?42, ?45, ?48, ?51, ?54, ?57-?Nonadecaoxanonapenta?contane-?1, ?59-?diol; Eicosa (ethylene glycol)
Molecular Formula
C40H82O21
Molecular Weight
899.08
API Name
Ethylene Glycol

Chemical Information

Pegargiminase

Pegargiminase is an anticancer agent.

CAS Number351342-08-0
PubChem CID14497139
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Molecular FormulaC40H82O21
Molecular Weight899.1
XLogP-3.9
Topological Polar Surface Area216
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count21
Rotatable Bond Count58
Heavy Atom Count61
Formal Charge0
Complexity693
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
InChI
InChI=1S/C40H82O21/c41-1-3-43-5-7-45-9-11-47-13-15-49-17-19-51-21-23-53-25-27-55-29-31-57-33-35-59-37-39-61-40-38-60-36-34-58-32-30-56-28-26-54-24-22-52-20-18-50-16-14-48-12-10-46-8-6-44-4-2-42/h41-42H,1-40H2
InChIKey
ZHMUMDLGQBRJIW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pegargiminase
CAS: 351342-08-0
CID: 14497139
Formula: C40H82O21
MW: 899.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight899.1
XLogP3-3.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count21
Rotatable Bond Count58
Exact Mass898.53485962
Monoisotopic Mass898.53485962
Topological Polar Surface Area216 Ų
Heavy Atom Count61
Formal Charge0
Complexity693
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