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BIOTIN-PEG11-SH

CAT: 0607-C8263-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-C8263-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1650579-23-9
Form
A solid
Molecular Formula
C34H65N3O13S2
Molecular Weight
788.02
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Biotin PEG Thiol
CAS Number1650579-23-9
PubChem CID99737235
IUPAC Name5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
Molecular FormulaC34H65N3O13S2
Molecular Weight788.0
XLogP-1.3
Topological Polar Surface Area198
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count40
Heavy Atom Count52
Formal Charge0
Complexity843
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCS)NC(=O)N2
InChI
InChI=1S/C34H65N3O13S2/c38-32(4-2-1-3-31-33-30(29-52-31)36-34(39)37-33)35-5-6-40-7-8-41-9-10-42-11-12-43-13-14-44-15-16-45-17-18-46-19-20-47-21-22-48-23-24-49-25-26-50-27-28-51/h30-31,33,51H,1-29H2,(H,35,38)(H2,36,37,39)/t30-,31-,33-/m0/s1
InChIKey
NUQCLJAPLBLADY-PHDGFQFKSA-N
Chemical Structure
2D Structure
2D structure of Biotin PEG Thiol
CAS: 1650579-23-9
CID: 99737235
Formula: C34H65N3O13S2
MW: 788.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight788.0
XLogP3-1.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count40
Exact Mass787.39588148
Monoisotopic Mass787.39588148
Topological Polar Surface Area198 Ų
Heavy Atom Count52
Formal Charge0
Complexity843
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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