Cas no 167173-82-2 (Decanoic acid,3-(acetyloxy)-5-[[(3R,5R)-3,5-dihydroxy-1-oxodecyl]oxy]-,(1R)-1-[(2R)-3-carboxy-2-hydroxypropyl]hexyl ester, (3R,5R)- (9CI))
![Decanoic acid,3-(acetyloxy)-5-[[(3R,5R)-3,5-dihydroxy-1-oxodecyl]oxy]-,(1R)-1-[(2R)-3-carboxy-2-hydroxypropyl]hexyl ester, (3R,5R)- (9CI) structure](https://ossimg.kuujia.com/scimg/167500/167173-82-2x500.png)
167173-82-2 structure
Product Name:Decanoic acid,3-(acetyloxy)-5-[[(3R,5R)-3,5-dihydroxy-1-oxodecyl]oxy]-,(1R)-1-[(2R)-3-carboxy-2-hydroxypropyl]hexyl ester, (3R,5R)- (9CI)
CAS No:167173-82-2
MF:C32H58O11
MW:618.796331882477
CID:162071
Update Time:2024-03-06
Decanoic acid,3-(acetyloxy)-5-[[(3R,5R)-3,5-dihydroxy-1-oxodecyl]oxy]-,(1R)-1-[(2R)-3-carboxy-2-hydroxypropyl]hexyl ester, (3R,5R)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Decanoic acid,3-(acetyloxy)-5-[[(3R,5R)-3,5-dihydroxy-1-oxodecyl]oxy]-,(1R)-1-[(2R)-3-carboxy-2-hydroxypropyl]hexyl ester, (3R,5R)- (9CI)
- Decanoic acid,3-(acetyloxy)-5-[[(3R,5R)-3,5-dihydroxy-1-oxodecyl]oxy]-,(1R)-1-[(2R)-3-carboxy-2-hydroxypropyl]hexyl ester, (3
- Decanoicacid, 3-(acetyloxy)-5-[(3,5-dihydroxy-1-oxodecyl)oxy]-,1-(3-carboxy-2-hydroxypropyl)hexyl ester, [3R-[1[R*(R*)],3R*,5R*(3R*,5R*)]]-
- Halymecin C
- 167173-82-2
- Decanoic acid, 3-(acetyloxy)-5-[[(3R,5R)-3,5-dihydroxy-1-oxodecyl]oxy]-, (1R)-1-[(2R)-3-carboxy-2-hydroxypropyl]hexyl ester, (3R,5R)- (9CI)
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- Inchi： 1S/C32H58O11/c1-5-8-11-14-24(34)17-25(35)20-31(39)43-28(16-13-10-7-3)21-29(41-23(4)33)22-32(40)42-27(15-12-9-6-2)18-26(36)19-30(37)38/h24-29,34-36H,5-22H2,1-4H3,(H,37,38)
- InChI Key： VKMYCUDYNRAXCY-UHFFFAOYSA-N
- SMILES： CCCCCC(CC(CC(OC(CC(OC(=O)C)CC(OC(CC(CC(=O)O)O)CCCCC)=O)CCCCC)=O)O)O
Computed Properties
- Exact Mass: 618.39804
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 43
- XLogP3: 6.136
Experimental Properties
- Density: 1.111±0.06 g/cm3(Predicted)
- Boiling Point: 723.6±60.0 °C(Predicted)
- PSA: 176.89
- pka: 4.25±0.10(Predicted)
Decanoic acid,3-(acetyloxy)-5-[[(3R,5R)-3,5-dihydroxy-1-oxodecyl]oxy]-,(1R)-1-[(2R)-3-carboxy-2-hydroxypropyl]hexyl ester, (3R,5R)- (9CI) Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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