Cas no 68937-16-6 (Monocaprylic acid, monocapric acid, decaglyceride)
68937-16-6 structure
Product Name:Monocaprylic acid, monocapric acid, decaglyceride
CAS No:68937-16-6
MF:C48H98O25
MW:1075.27673959732
CID:510048
PubChem ID:111834
Update Time:2025-04-19
Monocaprylic acid, monocapric acid, decaglyceride Chemical and Physical Properties
Names and Identifiers
-
- Monocaprylic acid, monocapric acid, decaglyceride
- Decanoic acid, mixed monoesters with decaglycerol and octanoic acid
- dimethyl-(octadecanoylamino)-prop-2-enylazanium,chloride
- 71012-26-5
- 68937-16-6
- DTXSID90276111
- 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
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- 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： OC(CCCCCCCCC)=O.O(CC(COCC(COCC(COCC(COCC(CO)O)O)O)O)O)CC(COCC(COCC(COCC(COCC(CO)O)O)O)O)O.OC(CCCCCCC)=O
Computed Properties
- Exact Mass: 1074.63971861g/mol
- Monoisotopic Mass: 1074.63971861g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 14
- Hydrogen Bond Acceptor Count: 25
- Heavy Atom Count: 73
- Rotatable Bond Count: 52
- Complexity: 886
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 10
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 400?2
Monocaprylic acid, monocapric acid, decaglyceride Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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