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Biotin-dPEG®7-Azide

CAT: 0926-DPG-5890-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-DPG-5890-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1334172-75-6
Smiles
C1C2C (C (S1) CCCCC (=O) NCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]) NC (=O) N2
Molecular Formula
C26H48N6O9S
Molecular Weight
620.32 g/mol
Controlled
No

Chemical Information

Biotin-PEG7-Azide
CAS Number1334172-75-6
PubChem CID77078442
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-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
Molecular FormulaC26H48N6O9S
Molecular Weight620.8
XLogP0
Topological Polar Surface Area175
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count29
Heavy Atom Count42
Formal Charge0
Complexity766
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])NC(=O)N2
InChI
InChI=1S/C26H48N6O9S/c27-32-29-6-8-36-10-12-38-14-16-40-18-20-41-19-17-39-15-13-37-11-9-35-7-5-28-24(33)4-2-1-3-23-25-22(21-42-23)30-26(34)31-25/h22-23,25H,1-21H2,(H,28,33)(H2,30,31,34)/t22-,23-,25-/m0/s1
InChIKey
WOMFFURCOFOFGG-LSQMVHIFSA-N
Chemical Structure
2D Structure
2D structure of Biotin-PEG7-Azide
CAS: 1334172-75-6
CID: 77078442
Formula: C26H48N6O9S
MW: 620.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight620.8
XLogP30
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count29
Exact Mass620.32034830
Monoisotopic Mass620.32034830
Topological Polar Surface Area175 Ų
Heavy Atom Count42
Formal Charge0
Complexity766
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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