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Biotin-PEG4-amide-PEG2-C6-Cl

CAT: 0804-HY-D2527-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-D2527-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Biotin-PEG4-amide-PEG2-C6-Cl is a biotinylated PEG4-amide-PEG2-C6-Cl.
CAS Number
1070801-79-4
UNSPSC
12171500
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Purity
96.0
Smiles
ClCCCCCCOCCOCCNC(CCOCCOCCOCCOCCNC(CCCC[C@H]1[C@]2([H])[C@](NC(N2)=O)([H])CS1)=O)=O
Molecular Formula
C31H57ClN4O9S
Molecular Weight
697.32
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Dye Reagents
Clinical Information
No Development Reported

Chemical Information

Biotin-PEG4-amide-PEG2-C6-Cl
CAS Number1070801-79-4
PubChem CID170919582
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-[3-[2-[2-(6-chlorohexoxy)ethoxy]ethylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
Molecular FormulaC31H57ClN4O9S
Molecular Weight697.3
XLogP0.5
Topological Polar Surface Area180
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count32
Heavy Atom Count46
Formal Charge0
Complexity805
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCCOCCOCCCCCCCl)NC(=O)N2
InChI
InChI=1S/C31H57ClN4O9S/c32-10-5-1-2-6-13-40-17-19-42-16-12-34-29(38)9-14-41-18-21-44-23-24-45-22-20-43-15-11-33-28(37)8-4-3-7-27-30-26(25-46-27)35-31(39)36-30/h26-27,30H,1-25H2,(H,33,37)(H,34,38)(H2,35,36,39)/t26-,27-,30-/m0/s1
InChIKey
LOEATJPJYHDRAG-VWYPKUQYSA-N
Chemical Structure
2D Structure
2D structure of Biotin-PEG4-amide-PEG2-C6-Cl
CAS: 1070801-79-4
CID: 170919582
Formula: C31H57ClN4O9S
MW: 697.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight697.3
XLogP30.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count32
Exact Mass696.3534783
Monoisotopic Mass696.3534783
Topological Polar Surface Area180 Ų
Heavy Atom Count46
Formal Charge0
Complexity805
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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