Cas no 167173-84-4 (Decanoic acid,5-[(3,5-dihydroxy-1-oxodecyl)oxy]-3-hydroxy-,1-(3-carboxy-2-hydroxypropyl)-5-hydroxyhexyl ester (9CI))
![Decanoic acid,5-[(3,5-dihydroxy-1-oxodecyl)oxy]-3-hydroxy-,1-(3-carboxy-2-hydroxypropyl)-5-hydroxyhexyl ester (9CI) structure](https://ossimg.kuujia.com/scimg/167500/167173-84-4x500.png)
167173-84-4 structure
Product Name:Decanoic acid,5-[(3,5-dihydroxy-1-oxodecyl)oxy]-3-hydroxy-,1-(3-carboxy-2-hydroxypropyl)-5-hydroxyhexyl ester (9CI)
CAS No:167173-84-4
MF:C30H56O11
MW:592.759051322937
CID:161324
Update Time:2024-03-05
Decanoic acid,5-[(3,5-dihydroxy-1-oxodecyl)oxy]-3-hydroxy-,1-(3-carboxy-2-hydroxypropyl)-5-hydroxyhexyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
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- Decanoic acid,5-[(3,5-dihydroxy-1-oxodecyl)oxy]-3-hydroxy-,1-(3-carboxy-2-hydroxypropyl)-5-hydroxyhexyl ester (9CI)
- Halymecin E
- Decanoic acid, 5-[(3,5-dihydroxy-1-oxodecyl)oxy]-3-hydroxy-, 1-(3-carboxy-2-hydroxypropyl)-5-hydroxyhexyl ester (9CI)
-
- Inchi： 1S/C30H56O11/c1-4-6-8-12-22(32)15-23(33)19-29(38)40-26(13-9-7-5-2)17-25(35)20-30(39)41-27(14-10-11-21(3)31)16-24(34)18-28(36)37/h21-27,31-35H,4-20H2,1-3H3,(H,36,37)
- InChI Key： QIYAHVFPCSLOLV-UHFFFAOYSA-N
- SMILES： CCCCCC(CC(CC(OC(CC(CC(OC(CC(CC(=O)O)O)CCCC(O)C)=O)O)CCCCC)=O)O)O
Computed Properties
- Exact Mass: 592.38238
Experimental Properties
- Density: 1.149±0.06 g/cm3(Predicted)
- Boiling Point: 749.8±60.0 °C(Predicted)
- PSA: 191.05
- pka: 4.24±0.10(Predicted)
Decanoic acid,5-[(3,5-dihydroxy-1-oxodecyl)oxy]-3-hydroxy-,1-(3-carboxy-2-hydroxypropyl)-5-hydroxyhexyl ester (9CI) Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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