Home Other Building Blocks 2-N-HEXADECANOYLAMINO-4-NITROPHENYLPHOSPHORYLCHOLINE

2-N-HEXADECANOYLAMINO-4-NITROPHENYLPHOSPHORYLCHOLINE

CAS No.:
60438-73-5
Catalog Number:
AG00EC0M
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00EC0M
Chemical Name:
2-N-HEXADECANOYLAMINO-4-NITROPHENYLPHOSPHORYLCHOLINE
CAS Number:
60438-73-5
MDL Number:
MFCD00051274
IUPAC Name:
2-[[2-(hexadecanoylamino)-4-nitrophenoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium;hydroxide
InChI:
InChI=1S/C27H48N3O7P.H2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(31)28-25-23-24(29(32)33)19-20-26(25)37-38(34,35)36-22-21-30(2,3)4;/h19-20,23H,5-18,21-22H2,1-4H3,(H-,28,31,34,35);1H2
InChI Key:
CDTKXKMMWVIQDN-UHFFFAOYSA-N
EC Number:
262-234-1
Properties
Complexity:
712  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
575.334g/mol
Formal Charge:
0
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
575.684g/mol
Monoisotopic Mass:
575.334g/mol
Rotatable Bond Count:
21  
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Niemann-Pick disease type A and B are clinically but also enzymatically heterogeneous: pitfall in the laboratory diagnosis of sphingomyelinase deficiency associated with the mutation Q292 K. Neuropediatrics 20031201
Properties