Cas no 15794-91-9 (β-D-Glucopyranoside, 4-hydroxyphenyl, 2-acetate)
15794-91-9 structure
Product Name:β-D-Glucopyranoside, 4-hydroxyphenyl, 2-acetate
CAS No:15794-91-9
MF:C14H18O8
MW:314.287925243378
CID:141228
PubChem ID:162851636
Update Time:2024-03-01
β-D-Glucopyranoside, 4-hydroxyphenyl, 2-acetate Chemical and Physical Properties
Names and Identifiers
-
- b-D-Glucopyranoside,4-hydroxyphenyl, 2-acetate
- Isopyroside(8CI)
- β-D-Glucopyranoside, 4-hydroxyphenyl, 2-acetate
- [4,5-dihydroxy-6-(hydroxymethyl)-2-(4-hydroxyphenoxy)oxan-3-yl] acetate
- CHEBI:168767
- 2-O-Acetylarbutin
- Isopyroside
- DTXSID401240687
- 15794-91-9
- beta-D-Glucopyranoside, 4-hydroxyphenyl, 2-acetate
-
- Inchi： 1S/C14H18O8/c1-7(16)20-13-12(19)11(18)10(6-15)22-14(13)21-9-4-2-8(17)3-5-9/h2-5,10-15,17-19H,6H2,1H3
- InChI Key： QLDACILJKOVPDG-UHFFFAOYSA-N
- SMILES： O1C(C(C(C(C1CO)O)O)OC(C)=O)OC1C=CC(=CC=1)O
Computed Properties
- Exact Mass: 314.10016753g/mol
- Monoisotopic Mass: 314.10016753g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 22
- Rotatable Bond Count: 5
- Complexity: 368
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.1
- Topological Polar Surface Area: 126?2
β-D-Glucopyranoside, 4-hydroxyphenyl, 2-acetate Related Literature
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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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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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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