Cas no 95593-76-3 (4-Hydroxyphenyl beta-fructofuranoside)
95593-76-3 structure
Product Name:4-Hydroxyphenyl beta-fructofuranoside
CAS No:95593-76-3
MF:C12H16O7
MW:272.251244544983
CID:805490
PubChem ID:192243
Update Time:2024-03-01
4-Hydroxyphenyl beta-fructofuranoside Chemical and Physical Properties
Names and Identifiers
-
- Fructofuranoside,p-hydroxyphenyl (7CI)
- 4-hydroxyphenyl beta-fructofuranoside
- 4-Hpff
- 4-Hydroxyphenyl hex-2-ulofuranoside
- 4-Hydroxyphenyl beta-fructofuranoside
-
- Inchi： 1S/C12H16O7/c13-5-9-10(16)11(17)12(6-14,19-9)18-8-3-1-7(15)2-4-8/h1-4,9-11,13-17H,5-6H2/t9-,10-,11+,12?/m1/s1
- InChI Key： KOTHHACKJKOJIJ-YIBTVLSRSA-N
- SMILES： O1[C@H](CO)[C@H]([C@@H](C1(CO)OC1C=CC(=CC=1)O)O)O
Computed Properties
- Exact Mass: 272.09
- Monoisotopic Mass: 272.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 292
- 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
- Topological Polar Surface Area: 120
- XLogP3: -0.3
Experimental Properties
- Density: 1.536
- Boiling Point: 584.3°Cat760mmHg
- Flash Point: 307.1°C
- Refractive Index: 1.639
4-Hydroxyphenyl beta-fructofuranoside Related Literature
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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