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252881-76-8 | Biotin-PEG3-propionic acid
CAS No: 252881-76-8 Catalog No: AG00BFYA MDL No:MFCD22574817
Product Description
Catalog Number:
AG00BFYA
Chemical Name:
Biotin-PEG3-propionic acid
CAS Number:
252881-76-8
Molecular Formula:
C19H33N3O7S
Molecular Weight:
447.5462
MDL Number:
MFCD22574817
IUPAC Name:
3-[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]ethoxy]propanoic acid
InChI:
InChI=1S/C19H33N3O7S/c23-16(4-2-1-3-15-18-14(13-30-15)21-19(26)22-18)20-6-8-28-10-12-29-11-9-27-7-5-17(24)25/h14-15,18H,1-13H2,(H,20,23)(H,24,25)(H2,21,22,26)/t14-,15-,18-/m0/s1
InChI Key:
HRGPPBXEZFBGDJ-MPGHIAIKSA-N
SMILES:
O=C(NCCOCCOCCOCCC(=O)O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2
Properties
Complexity:
552
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
447.204g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
447.547g/mol
Monoisotopic Mass:
447.204g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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