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122242-50-6 | 1-O-(4-azido-2-hydroxy-3-iodobenzamido)undecyl-2-O-acetyl-sn-glycero-3-phosphocholine
CAS No: 122242-50-6 Catalog No: AG00A695 MDL No:
Product Description
Catalog Number:
AG00A695
Chemical Name:
1-O-(4-azido-2-hydroxy-3-iodobenzamido)undecyl-2-O-acetyl-sn-glycero-3-phosphocholine
CAS Number:
122242-50-6
IUPAC Name:
[(2R)-2-acetyloxy-3-[11-[(4-azido-2-hydroxy-3-(125I)iodanylbenzoyl)amino]undecoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
InChI:
InChI=1S/C28H47IN5O9P/c1-22(35)43-23(21-42-44(38,39)41-19-17-34(2,3)4)20-40-18-13-11-9-7-5-6-8-10-12-16-31-28(37)24-14-15-25(32-33-30)26(29)27(24)36/h14-15,23H,5-13,16-21H2,1-4H3,(H2-,31,36,37,38,39)/t23-/m1/s1/i29-2
InChI Key:
NNEJANBGIUCOLC-TVTJIZBKSA-N
Properties
Complexity:
927
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
753.216g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
1
Molecular Weight:
753.588g/mol
Monoisotopic Mass:
753.216g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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