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2032788-37-5 | Dbco-peg4-desthiobiotin
CAS No: 2032788-37-5 Catalog No: AG00I3TP MDL No:
Product Description
Catalog Number:
AG00I3TP
Chemical Name:
Dbco-peg4-desthiobiotin
CAS Number:
2032788-37-5
IUPAC Name:
N-[2-[2-[2-[2-[3-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanamide
InChI:
InChI=1S/C39H53N5O8/c1-30-34(43-39(48)42-30)12-3-2-4-14-36(45)41-20-22-50-24-26-52-28-27-51-25-23-49-21-18-37(46)40-19-17-38(47)44-29-33-11-6-5-9-31(33)15-16-32-10-7-8-13-35(32)44/h5-11,13,30,34H,2-4,12,14,17-29H2,1H3,(H,40,46)(H,41,45)(H2,42,43,48)/t30-,34+/m0/s1
InChI Key:
RLLRLVMWDMAIJT-BFGHFXMOSA-N
Properties
Complexity:
1170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
719.389g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
719.88g/mol
Monoisotopic Mass:
719.389g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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