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1334172-75-6 | alpha-Biotin-omega-azido hepta(ethylene glycol)
CAS No: 1334172-75-6 Catalog No: AG00HSWL MDL No:
Product Description
Catalog Number:
AG00HSWL
Chemical Name:
alpha-Biotin-omega-azido hepta(ethylene glycol)
CAS Number:
1334172-75-6
Molecular Formula:
C26H48N6O9S
Molecular Weight:
620.7591
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-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
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
InChI Key:
WOMFFURCOFOFGG-LSQMVHIFSA-N
SMILES:
[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCC1SCC2C1NC(=O)N2
Properties
Complexity:
766
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
620.32g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
620.763g/mol
Monoisotopic Mass:
620.32g/mol
Rotatable Bond Count:
29
Topological Polar Surface Area:
175A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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