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1431618-70-0 | Biotin-peg3-mal
CAS No: 1431618-70-0 Catalog No: AG00HWTK MDL No:
Product Description
Catalog Number:
AG00HWTK
Chemical Name:
Biotin-peg3-mal
CAS Number:
1431618-70-0
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-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
InChI:
InChI=1S/C25H39N5O8S/c31-20(4-2-1-3-19-24-18(17-39-19)28-25(35)29-24)26-8-11-36-13-15-38-16-14-37-12-9-27-21(32)7-10-30-22(33)5-6-23(30)34/h5-6,18-19,24H,1-4,7-17H2,(H,26,31)(H,27,32)(H2,28,29,35)/t18-,19-,24-/m0/s1
InChI Key:
OSIQQRWDJZNBFW-JXQFQVJHSA-N
Properties
Complexity:
871
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
569.252g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
569.674g/mol
Monoisotopic Mass:
569.252g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
190A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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