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89307-04-0 | 3,6,10,13,16,20,23-Heptaoxapentacosane-1,8,18,25-tetrol, tetranitrate
CAS No: 89307-04-0 Catalog No: AG0040G8 MDL No:
Product Description
Catalog Number:
AG0040G8
Chemical Name:
3,6,10,13,16,20,23-Heptaoxapentacosane-1,8,18,25-tetrol, tetranitrate
CAS Number:
89307-04-0
Molecular Formula:
C18H42N4O23
Molecular Weight:
682.5391
IUPAC Name:
1-[2-(2-hydroxyethoxy)ethoxy]-3-[2-[2-[2-hydroxy-3-[2-(2-hydroxyethoxy)ethoxy]propoxy]ethoxy]ethoxy]propan-2-ol;nitric acid
InChI:
InChI=1S/C18H38O11.4HNO3/c19-1-3-23-5-9-26-13-17(21)15-28-11-7-25-8-12-29-16-18(22)14-27-10-6-24-4-2-20;4*2-1(3)4/h17-22H,1-16H2;4*(H,2,3,4)
InChI Key:
UULCAULNYYRLRN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)O.[O-][N+](=O)O.[O-][N+](=O)O.[O-][N+](=O)O.OCCOCCOCC(COCCOCCOCC(COCCOCCO)O)O
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
682.224g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
23
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
682.539g/mol
Monoisotopic Mass:
682.224g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
410A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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