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Ac-S-dpeg (12) -NHS

CAT: 0926-JDC16995Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-JDC16995Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1334169-95-7
MDL Number
MFCD21363255
Smiles
CC (=O) SCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC (=O) ON1C (=O) CCC1=O
Molecular Formula
C33H59NO17S
Molecular Weight
773.9 g/mol
Controlled
No

Chemical Information

PEG12-SATA (S-acetyl-PEG12-NHS ester)
CAS Number1334169-95-7
PubChem CID75534887
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-acetylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC33H59NO17S
Molecular Weight773.9
XLogP-2.2
Topological Polar Surface Area217
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count18
Rotatable Bond Count42
Heavy Atom Count52
Formal Charge0
Complexity871
SMILES
CC(=O)SCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C33H59NO17S/c1-30(35)52-29-28-50-27-26-49-25-24-48-23-22-47-21-20-46-19-18-45-17-16-44-15-14-43-13-12-42-11-10-41-9-8-40-7-6-39-5-4-33(38)51-34-31(36)2-3-32(34)37/h2-29H2,1H3
InChIKey
GSXZFZXFZLUQBO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PEG12-SATA (S-acetyl-PEG12-NHS ester)
CAS: 1334169-95-7
CID: 75534887
Formula: C33H59NO17S
MW: 773.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight773.9
XLogP3-2.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count18
Rotatable Bond Count42
Exact Mass773.35037059
Monoisotopic Mass773.35037059
Topological Polar Surface Area217 Ų
Heavy Atom Count52
Formal Charge0
Complexity871
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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