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73839-24-4 | 6-(O-Phosphorylcholine)hydroxyhexanoic Acid
CAS No: 73839-24-4 Catalog No: AG005KBF MDL No:
Product Description
Catalog Number:
AG005KBF
Chemical Name:
6-(O-Phosphorylcholine)hydroxyhexanoic Acid
CAS Number:
73839-24-4
Molecular Formula:
C11H24NO6P
Molecular Weight:
297.2851
IUPAC Name:
5-carboxypentyl 2-(trimethylazaniumyl)ethyl phosphate
InChI:
InChI=1S/C11H24NO6P/c1-12(2,3)8-10-18-19(15,16)17-9-6-4-5-7-11(13)14/h4-10H2,1-3H3,(H-,13,14,15,16)
InChI Key:
QOEUIJHOOHSYPA-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCOP(=O)(OCC[N+](C)(C)C)[O-]
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.134g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.288g/mol
Monoisotopic Mass:
297.134g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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