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1334172-74-5 | alpha-Lipoamide-omega-biotinyl tri(ethylene glycol)
CAS No: 1334172-74-5 Catalog No: AG00VR4B MDL No:
Product Description
Catalog Number:
AG00VR4B
Chemical Name:
alpha-Lipoamide-omega-biotinyl tri(ethylene glycol)
CAS Number:
1334172-74-5
Molecular Formula:
C28H50N4O6S3
Molecular Weight:
634.9148
IUPAC Name:
N-[3-[2-[2-[3-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]-5-(dithiolan-3-yl)pentanamide
InChI:
InChI=1S/C28H50N4O6S3/c33-25(9-3-1-7-22-11-20-40-41-22)29-12-5-14-36-16-18-38-19-17-37-15-6-13-30-26(34)10-4-2-8-24-27-23(21-39-24)31-28(35)32-27/h22-24,27H,1-21H2,(H,29,33)(H,30,34)(H2,31,32,35)/t22?,23-,24-,27-/m0/s1
InChI Key:
NTUJKFCBMVRCFR-JPGMODJUSA-N
SMILES:
O=C(NCCCOCCOCCOCCCNC(=O)CCCCC1SSCC1)CCCCC1SCC2C1NC(=O)N2
Properties
Complexity:
768
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
634.289g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
634.91g/mol
Monoisotopic Mass:
634.289g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
203A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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