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1334169-94-6 | alpha-(4-Methoxytrityl)thio-dodeca(ethylene glycol)-omega-propionic acid
CAS No: 1334169-94-6 Catalog No: AG00VR4U MDL No:
Product Description
Catalog Number:
AG00VR4U
Chemical Name:
alpha-(4-Methoxytrityl)thio-dodeca(ethylene glycol)-omega-propionic acid
CAS Number:
1334169-94-6
Molecular Formula:
C47H70O15S
Molecular Weight:
907.1147
IUPAC Name:
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(4-methoxyphenyl)-diphenylmethyl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
InChI:
InChI=1S/C47H70O15S/c1-50-45-14-12-44(13-15-45)47(42-8-4-2-5-9-42,43-10-6-3-7-11-43)63-41-40-62-39-38-61-37-36-60-35-34-59-33-32-58-31-30-57-29-28-56-27-26-55-25-24-54-23-22-53-21-20-52-19-18-51-17-16-46(48)49/h2-15H,16-41H2,1H3,(H,48,49)
InChI Key:
GEHVFVYKJUPYPE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(c1ccccc1)(c1ccccc1)SCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
Properties
Complexity:
993
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
906.444g/mol
Formal Charge:
0
Heavy Atom Count:
63
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
907.122g/mol
Monoisotopic Mass:
906.444g/mol
Rotatable Bond Count:
44
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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