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960069-81-2 | alpha-Lipoamide-omega-biotinyl undeca(ethylene glycol)
CAS No: 960069-81-2 Catalog No: AG00IJQK MDL No:
Product Description
Catalog Number:
AG00IJQK
Chemical Name:
alpha-Lipoamide-omega-biotinyl undeca(ethylene glycol)
CAS Number:
960069-81-2
Molecular Formula:
C42H87N4O14S3
Molecular Weight:
968.3536
IUPAC Name:
N-[2-[2-[2-[2-[2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-(dithiolan-3-yl)pentanamide
InChI:
InChI=1S/C42H78N4O14S3/c47-39(7-3-1-5-36-9-34-62-63-36)43-10-12-50-14-16-52-18-20-54-22-24-56-26-28-58-30-32-60-33-31-59-29-27-57-25-23-55-21-19-53-17-15-51-13-11-44-40(48)8-4-2-6-38-41-37(35-61-38)45-42(49)46-41/h36-38,41H,1-35H2,(H,43,47)(H,44,48)(H2,45,46,49)/t36?,37-,38-,41-/m0/s1
InChI Key:
LHDRNWLHXCGFBV-FFGSZZMFSA-N
SMILES:
OCC[N](C(=O)CCCCC1SSCC1)(CCOCCNC(=O)CCCCC1SCC2C1NC(=O)N2)(CCO)(CCO)(CCO)(CCO)(CCO)(CCO)(CCO)(CCO)CCO
Properties
Complexity:
1130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
958.468g/mol
Formal Charge:
0
Heavy Atom Count:
63
Hydrogen Bond Acceptor Count:
17
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
959.28g/mol
Monoisotopic Mass:
958.468g/mol
Rotatable Bond Count:
46
Topological Polar Surface Area:
277A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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