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871133-36-7 | Mal-amido-PEG12-acid
CAS No: 871133-36-7 Catalog No: AG00H234 MDL No:MFCD13184984
Product Description
Catalog Number:
AG00H234
Chemical Name:
Mal-amido-PEG12-acid
CAS Number:
871133-36-7
Molecular Formula:
C34H70N2O17
Molecular Weight:
778.9228
MDL Number:
MFCD13184984
IUPAC Name:
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
InChI:
InChI=1S/C34H60N2O17/c37-31(3-6-36-32(38)1-2-33(36)39)35-5-8-43-10-12-45-14-16-47-18-20-49-22-24-51-26-28-53-30-29-52-27-25-50-23-21-48-19-17-46-15-13-44-11-9-42-7-4-34(40)41/h1-2H,3-30H2,(H,35,37)(H,40,41)
InChI Key:
IKPIYLUYRFENAW-UHFFFAOYSA-N
SMILES:
OCC[O](CCC(=O)O)(CCO)(CCO)(CCO)(CCO)(CCO)(CCO)(CCO)(CCO)(CCO)CCOCCNC(=O)CCN1C(=O)C=CC1=O
Properties
Complexity:
925
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
768.389g/mol
Formal Charge:
0
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
17
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
768.851g/mol
Monoisotopic Mass:
768.389g/mol
Rotatable Bond Count:
42
Topological Polar Surface Area:
215A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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