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1006592-62-6

1006592-62-6 | Biotin-PEG4-C6-Azide

CAS No: 1006592-62-6 Catalog No: AG01FFKV MDL No:

Product Description

Catalog Number:
AG01FFKV
Chemical Name:
Biotin-PEG4-C6-Azide
CAS Number:
1006592-62-6
Molecular Formula:
C27H49N7O7S
Molecular Weight:
615.7857
IUPAC Name:
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[3-(6-azidohexylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
InChI:
InChI=1S/C27H49N7O7S/c28-34-31-11-6-2-1-5-10-29-25(36)9-13-38-15-17-40-19-20-41-18-16-39-14-12-30-24(35)8-4-3-7-23-26-22(21-42-23)32-27(37)33-26/h22-23,26H,1-21H2,(H,29,36)(H,30,35)(H2,32,33,37)/t22-,23-,26-/m0/s1
InChI Key:
VMDHUTMCBPLPBZ-FXSPECFOSA-N
SMILES:
[N-]=[N+]=NCCCCCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2

Properties

Complexity:
820  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
615.341g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
615.791g/mol
Monoisotopic Mass:
615.341g/mol
Rotatable Bond Count:
27  
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

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