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Methoxytrityl-S-dPEG®8 Acid

CAT: 0926-DPG-5762-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-DPG-5762-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1334177-82-0
Smiles
COC1=CC=C (C=C1) C (C2=CC=CC=C2) (C3=CC=CC=C3) SCCOCCOCCOCCOCCOCCOCCOCCOCCC (=O) O
Molecular Weight
730.91 g/mol
Controlled
No

Chemical Information

alpha-(4-Methoxytrityl)thio-octa(ethylene glycol)-omega-propionic acid
CAS Number1334177-82-0
PubChem CID51340965
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-[(4-methoxyphenyl)-diphenylmethyl]sulfanylethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC39H54O11S
Molecular Weight730.9
XLogP3.8
Topological Polar Surface Area146
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count32
Heavy Atom Count51
Formal Charge0
Complexity799
SMILES
COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C39H54O11S/c1-42-37-14-12-36(13-15-37)39(34-8-4-2-5-9-34,35-10-6-3-7-11-35)51-33-32-50-31-30-49-29-28-48-27-26-47-25-24-46-23-22-45-21-20-44-19-18-43-17-16-38(40)41/h2-15H,16-33H2,1H3,(H,40,41)
InChIKey
COBJVDSZNHAETA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha-(4-Methoxytrityl)thio-octa(ethylene glycol)-omega-propionic acid
CAS: 1334177-82-0
CID: 51340965
Formula: C39H54O11S
MW: 730.9
Interactive 3D Structure
Loading 3D structure...
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Computed Properties
PropertyValue
Molecular Weight730.9
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count32
Exact Mass730.33868371
Monoisotopic Mass730.33868371
Topological Polar Surface Area146 Ų
Heavy Atom Count51
Formal Charge0
Complexity799
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

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