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875770-34-6 | Biotin-PEG4-N3
CAS No: 875770-34-6 Catalog No: AG00GT3Z MDL No:MFCD20134145
Product Description
Catalog Number:
AG00GT3Z
Chemical Name:
Biotin-PEG4-N3
CAS Number:
875770-34-6
Molecular Formula:
C18H32N6O5S
Molecular Weight:
444.5489
MDL Number:
MFCD20134145
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-azidoethoxy)ethoxy]ethoxy]ethyl]pentanamide
InChI:
InChI=1S/C18H32N6O5S/c19-24-21-6-8-28-10-12-29-11-9-27-7-5-20-16(25)4-2-1-3-15-17-14(13-30-15)22-18(26)23-17/h14-15,17H,1-13H2,(H,20,25)(H2,22,23,26)/t14-,15-,17-/m0/s1
InChI Key:
ZWFOOMQCYIGZBE-ZOBUZTSGSA-N
SMILES:
[N-]=[N+]=NCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
444.215g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
444.551g/mol
Monoisotopic Mass:
444.215g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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