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1869922-24-6 | Pc biotin-peg3-alkyne
CAS No: 1869922-24-6 Catalog No: AG00I1UB MDL No:
Product Description
Catalog Number:
AG00I1UB
Chemical Name:
Pc biotin-peg3-alkyne
CAS Number:
1869922-24-6
IUPAC Name:
1-[4-[4-[2-[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]ethylamino]-4-oxobutoxy]-5-methoxy-2-nitrophenyl]ethyl N-prop-2-ynylcarbamate
InChI:
InChI=1S/C35H52N6O12S/c1-4-11-38-35(45)53-24(2)25-21-28(48-3)29(22-27(25)41(46)47)52-14-7-10-32(43)37-13-16-50-18-20-51-19-17-49-15-12-36-31(42)9-6-5-8-30-33-26(23-54-30)39-34(44)40-33/h1,21-22,24,26,30,33H,5-20,23H2,2-3H3,(H,36,42)(H,37,43)(H,38,45)(H2,39,40,44)/t24?,26-,30-,33-/m0/s1
InChI Key:
HRHZIAGPIYYJMG-MJUSKHNJSA-N
Properties
Complexity:
1230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
780.336g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
780.891g/mol
Monoisotopic Mass:
780.336g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
255A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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