Cas no 50809-53-5 ([(1R)-1-[(3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxy-ethyl] hexanoate)
![[(1R)-1-[(3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxy-ethyl] hexanoate structure](https://ossimg.kuujia.com/scimg/51000/50809-53-5x500.png)
50809-53-5 structure
Product Name:[(1R)-1-[(3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxy-ethyl] hexanoate
CAS No:50809-53-5
MF:C12H22O6
MW:262.299484729767
CID:376158
PubChem ID:6452261
Update Time:2025-04-19
[(1R)-1-[(3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxy-ethyl] hexanoate Chemical and Physical Properties
Names and Identifiers
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- [(1R)-1-[(3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxy-ethyl] hexanoate
- (4xi)-1,4-anhydro-5-O-hexanoyl-D-xylo-hexitol
- [(1R)-1-[(3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] hexanoate
- Sorbitan, hexanoate
- 1,4-Anhydro-5-O-hexanoylhexitol
- DTXSID00965044
- NS00120453
- 50809-53-5
- EINECS 256-775-2
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- Inchi： 1S/C12H22O6/c1-2-3-4-5-10(15)18-9(6-13)12-11(16)8(14)7-17-12/h8-9,11-14,16H,2-7H2,1H3/t8-,9+,11+,12?/m0/s1
- InChI Key： BNMOESQYPCJYSH-BWWCMOENSA-N
- SMILES： O1C[C@@H]([C@H](C1[C@@H](CO)OC(CCCCC)=O)O)O
Computed Properties
- Exact Mass: 262.14163842g/mol
- Monoisotopic Mass: 262.14163842g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 257
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: -0.1
- Topological Polar Surface Area: 96.2?2
[(1R)-1-[(3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxy-ethyl] hexanoate Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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