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793710-14-2 | 3,3'-BIS(DIOCTYLOXYTHIOPHOSPHINOYLTHIO)-N,N'-OXYBIS(METHYLEN)DIPROPIONAMIDE
CAS No: 793710-14-2 Catalog No: AG00521H MDL No:
Product Description
Catalog Number:
AG00521H
Chemical Name:
3,3'-BIS(DIOCTYLOXYTHIOPHOSPHINOYLTHIO)-N,N'-OXYBIS(METHYLEN)DIPROPIONAMIDE
CAS Number:
793710-14-2
Molecular Formula:
C40H82N2O7P2S4
Molecular Weight:
893.2958
IUPAC Name:
3-dioctoxyphosphinothioylsulfanyl-N-[(3-dioctoxyphosphinothioylsulfanylpropanoylamino)methoxymethyl]propanamide
InChI:
InChI=1S/C40H82N2O7P2S4/c1-5-9-13-17-21-25-31-46-50(52,47-32-26-22-18-14-10-6-2)54-35-29-39(43)41-37-45-38-42-40(44)30-36-55-51(53,48-33-27-23-19-15-11-7-3)49-34-28-24-20-16-12-8-4/h5-38H2,1-4H3,(H,41,43)(H,42,44)
InChI Key:
ZPYXJFWMHVMKNG-UHFFFAOYSA-N
SMILES:
CCCCCCCCOP(=S)(OCCCCCCCC)SCCC(=O)NCOCNC(=O)CCSP(=S)(OCCCCCCCC)OCCCCCCCC
EC Number:
401-820-5
Properties
Complexity:
870
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
892.448g/mol
Formal Charge:
0
Heavy Atom Count:
55
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
893.291g/mol
Monoisotopic Mass:
892.448g/mol
Rotatable Bond Count:
44
Topological Polar Surface Area:
219A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.3
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