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Fmoc-NH-PEG11-CH2CH2COOH

CAT: 0127-OR1031656Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
3076038-46-2
Purity
98%
Smiles
O=C(NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(O)=O)OCC1C(C=CC=C2)=C2C3=C1C=CC=C3

Chemical Information

Fmoc-NH-PEG11-CH2CH2COOH
CAS Number3076038-46-2
PubChem CID139035279
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC40H61NO15
Molecular Weight795.9
XLogP0.9
Topological Polar Surface Area177
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count39
Heavy Atom Count56
Formal Charge0
Complexity927
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C40H61NO15/c42-39(43)9-11-45-13-15-47-17-19-49-21-23-51-25-27-53-29-31-55-32-30-54-28-26-52-24-22-50-20-18-48-16-14-46-12-10-41-40(44)56-33-38-36-7-3-1-5-34(36)35-6-2-4-8-37(35)38/h1-8,38H,9-33H2,(H,41,44)(H,42,43)
InChIKey
ULYHFCRMWMOOIB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-NH-PEG11-CH2CH2COOH
CAS: 3076038-46-2
CID: 139035279
Formula: C40H61NO15
MW: 795.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight795.9
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count39
Exact Mass795.40412024
Monoisotopic Mass795.40412024
Topological Polar Surface Area177 Ų
Heavy Atom Count56
Formal Charge0
Complexity927
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