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Lipoamide-dpeg (8) -OMe

CAT: 0926-JDC17267-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-JDC17267-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1334172-67-6
MDL Number
MFCD21363252
Smiles
COCCOCCOCCOCCOCCOCCOCCOCCNC (=O) CCCCC1CCSS1
Molecular Formula
C25H49NO9S2
Molecular Weight
571.8 g/mol
Controlled
No

Chemical Information

m-dPEG(R)8-Lipoamide
CAS Number1334172-67-6
PubChem CID75535064
IUPAC Name5-(dithiolan-3-yl)-N-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
Molecular FormulaC25H49NO9S2
Molecular Weight571.8
XLogP0.2
Topological Polar Surface Area154
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count29
Heavy Atom Count37
Formal Charge0
Complexity495
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCC1CCSS1
InChI
InChI=1S/C25H49NO9S2/c1-28-9-10-30-13-14-32-17-18-34-21-22-35-20-19-33-16-15-31-12-11-29-8-7-26-25(27)5-3-2-4-24-6-23-36-37-24/h24H,2-23H2,1H3,(H,26,27)
InChIKey
VVNHZYDOJLEDPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of m-dPEG(R)8-Lipoamide
CAS: 1334172-67-6
CID: 75535064
Formula: C25H49NO9S2
MW: 571.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight571.8
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count29
Exact Mass571.28487449
Monoisotopic Mass571.28487449
Topological Polar Surface Area154 Ų
Heavy Atom Count37
Formal Charge0
Complexity495
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