Home Carboxys 5-(7-carboxyheptyl)-2-hexylcyclohex-3-ene-1-carboxylic acid- 2,2',2''-nitrilotriethanol(1:2)

5-(7-carboxyheptyl)-2-hexylcyclohex-3-ene-1-carboxylic acid- 2,2',2''-nitrilotriethanol(1:2)

CAS No.:
68475-44-5
Catalog Number:
AG006JNQ
Molecular Formula:
C33H66N2O10
Molecular Weight:
650.8845
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Product Description
Catalog Number:
AG006JNQ
Chemical Name:
5-(7-carboxyheptyl)-2-hexylcyclohex-3-ene-1-carboxylic acid- 2,2',2''-nitrilotriethanol(1:2)
CAS Number:
68475-44-5
Molecular Formula:
C33H66N2O10
Molecular Weight:
650.8845
MDL Number:
MFCD00211059
IUPAC Name:
magnesium;2,3,4,5,6,7-hexahydroxyheptanoate
InChI:
InChI=1S/2C7H14O8.Mg/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2*2-6,8-13H,1H2,(H,14,15);/q;;+2/p-2
InChI Key:
MMSNUIOBUPTENW-UHFFFAOYSA-L
SMILES:
OCCN(CCO)CCO.OCCN(CCO)CCO.CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)O
EC Number:
270-642-6
Properties
Complexity:
465  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
474.107g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
16  
Hydrogen Bond Donor Count:
12  
Isotope Atom Count:
0
Molecular Weight:
474.651g/mol
Monoisotopic Mass:
474.107g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
323A^2
Undefined Atom Stereocenter Count:
10  
Undefined Bond Stereocenter Count:
0
Properties