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89410-51-5 | Guanidine, octadecyl-, 2-hydroxy-1,2,3-propanetricarboxylate (2:1)
CAS No: 89410-51-5 Catalog No: AG00463J MDL No:
Product Description
Catalog Number:
AG00463J
Chemical Name:
Guanidine, octadecyl-, 2-hydroxy-1,2,3-propanetricarboxylate (2:1)
CAS Number:
89410-51-5
Molecular Formula:
C44H90N6O7
Molecular Weight:
815.2214
IUPAC Name:
2-hydroxypropane-1,2,3-tricarboxylic acid;2-octadecylguanidine
InChI:
InChI=1S/2C19H41N3.C6H8O7/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20)21;7-3(8)1-6(13,5(11)12)2-4(9)10/h2*2-18H2,1H3,(H4,20,21,22);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChI Key:
VLQQDIIFEUNTJI-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C(=O)O)(CC(=O)O)O.CCCCCCCCCCCCCCCCCCNC(=N)N.CCCCCCCCCCCCCCCCCCNC(=N)N
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
814.687g/mol
Formal Charge:
0
Heavy Atom Count:
57
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
815.239g/mol
Monoisotopic Mass:
814.687g/mol
Rotatable Bond Count:
39
Topological Polar Surface Area:
261A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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