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1430408-09-5 | DBCO-S-S-PEG3-biotin
CAS No: 1430408-09-5 Catalog No: AG019E0H MDL No:
Product Description
Catalog Number:
AG019E0H
Chemical Name:
DBCO-S-S-PEG3-biotin
CAS Number:
1430408-09-5
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-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethyldisulfanyl]propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
InChI:
InChI=1S/C42H56N6O8S3/c49-37(12-6-5-11-36-41-34(30-57-36)46-42(53)47-41)43-18-21-54-23-25-56-26-24-55-22-19-44-39(51)17-27-58-59-28-20-45-38(50)15-16-40(52)48-29-33-9-2-1-7-31(33)13-14-32-8-3-4-10-35(32)48/h1-4,7-10,34,36,41H,5-6,11-12,15-30H2,(H,43,49)(H,44,51)(H,45,50)(H2,46,47,53)/t34-,36-,41-/m0/s1
InChI Key:
ZJVGOGQIAYMKAS-MZOCQUDTSA-N
Properties
Complexity:
1420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
868.332g/mol
Formal Charge:
0
Heavy Atom Count:
59
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
869.124g/mol
Monoisotopic Mass:
868.332g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
252A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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