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1011268-28-2 | Biotin-PEG2-C4-alkyne
CAS No: 1011268-28-2 Catalog No: AG019E1L MDL No:
Product Description
Catalog Number:
AG019E1L
Chemical Name:
Biotin-PEG2-C4-alkyne
CAS Number:
1011268-28-2
Molecular Formula:
C22H36N4O5S
Molecular Weight:
468.6100
IUPAC Name:
N-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethyl]hex-5-ynamide
InChI:
InChI=1S/C22H36N4O5S/c1-2-3-4-8-19(27)23-10-12-30-14-15-31-13-11-24-20(28)9-6-5-7-18-21-17(16-32-18)25-22(29)26-21/h1,17-18,21H,3-16H2,(H,23,27)(H,24,28)(H2,25,26,29)/t17-,18-,21-/m0/s1
InChI Key:
BMIRHLAYBWVOOC-WFXMLNOXSA-N
SMILES:
C#CCCCC(=O)NCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
Properties
Complexity:
654
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
468.241g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
468.613g/mol
Monoisotopic Mass:
468.241g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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