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M-dPEG®24-Lipoamide

CAT: 0926-DPG-6142-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-DPG-6142-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1334172-68-7
Molecular Formula
C35H67NO15S2
Molecular Weight
806.03 g/mol
Controlled
No

Chemical Information

m-PEG12-Lipoamide
CAS Number1334172-68-7
PubChem CID75535059
IUPAC Name5-(dithiolan-3-yl)-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
Molecular FormulaC33H65NO13S2
Molecular Weight748.0
XLogP-0.3
Topological Polar Surface Area190
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count15
Rotatable Bond Count41
Heavy Atom Count49
Formal Charge0
Complexity676
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCC1CCSS1
InChI
InChI=1S/C33H65NO13S2/c1-36-9-10-38-13-14-40-17-18-42-21-22-44-25-26-46-29-30-47-28-27-45-24-23-43-20-19-41-16-15-39-12-11-37-8-7-34-33(35)5-3-2-4-32-6-31-48-49-32/h32H,2-31H2,1H3,(H,34,35)
InChIKey
WHTUJGAYCNMFSV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of m-PEG12-Lipoamide
CAS: 1334172-68-7
CID: 75535059
Formula: C33H65NO13S2
MW: 748.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight748.0
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count15
Rotatable Bond Count41
Exact Mass747.38973348
Monoisotopic Mass747.38973348
Topological Polar Surface Area190 Ų
Heavy Atom Count49
Formal Charge0
Complexity676
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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