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71012-26-5 | decanoic acid; 3-[3-[3-[3-[3-[3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxy-propoxy]-2-hydroxy-propoxy]-2-hydroxy-propoxy]-2-hydroxy-propoxy]-2-hydroxy-propoxy]-2-hydroxy-propoxy]-2-hydroxy-propoxy]-2-hydroxy-propoxy]propane-1,2-diol; octanoic acid
CAS No: 71012-26-5 Catalog No: AG005F51 MDL No:
Product Description
Catalog Number:
AG005F51
Chemical Name:
decanoic acid; 3-[3-[3-[3-[3-[3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxy-propoxy]-2-hydroxy-propoxy]-2-hydroxy-propoxy]-2-hydroxy-propoxy]-2-hydroxy-propoxy]-2-hydroxy-propoxy]-2-hydroxy-propoxy]-2-hydroxy-propoxy]propane-1,2-diol; octanoic acid
CAS Number:
71012-26-5
Molecular Formula:
C48H98O25
Molecular Weight:
1075.2767
IUPAC Name:
decanoic acid;3-[3-[3-[3-[3-[3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol;octanoic acid
InChI:
InChI=1S/C30H62O21.C10H20O2.C8H16O2/c31-1-21(33)3-43-5-23(35)7-45-9-25(37)11-47-13-27(39)15-49-17-29(41)19-51-20-30(42)18-50-16-28(40)14-48-12-26(38)10-46-8-24(36)6-44-4-22(34)2-32;1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10/h21-42H,1-20H2;2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10)
InChI Key:
ZUYSKVKOSUNZSO-UHFFFAOYSA-N
SMILES:
OCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(CO)O)O)O)O)O)O)O)O)O)O.CCCCCCCC(=O)O.CCCCCCCCCC(=O)O
Properties
Complexity:
886
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1074.64g/mol
Formal Charge:
0
Heavy Atom Count:
73
Hydrogen Bond Acceptor Count:
25
Hydrogen Bond Donor Count:
14
Isotope Atom Count:
0
Molecular Weight:
1075.287g/mol
Monoisotopic Mass:
1074.64g/mol
Rotatable Bond Count:
52
Topological Polar Surface Area:
400A^2
Undefined Atom Stereocenter Count:
10
Undefined Bond Stereocenter Count:
0
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