Cas no 113270-18-1 (β-D-Glucopyranoside, 3-hydroxy-4-(hydroxymethyl)phenyl, 6-benzoate)
113270-18-1 structure
Product Name:β-D-Glucopyranoside, 3-hydroxy-4-(hydroxymethyl)phenyl, 6-benzoate
CAS No:113270-18-1
MF:C20H22O9
MW:406.383286952972
CID:231582
PubChem ID:13889568
Update Time:2024-03-01
β-D-Glucopyranoside, 3-hydroxy-4-(hydroxymethyl)phenyl, 6-benzoate Chemical and Physical Properties
Names and Identifiers
-
- b-D-Glucopyranoside,3-hydroxy-4-(hydroxymethyl)phenyl, 6-benzoate
- Flacourtin
- β-D-Glucopyranoside, 3-hydroxy-4-(hydroxymethyl)phenyl, 6-benzoate
- 113270-18-1
- beta-D-Glucopyranoside, 3-hydroxy-4-(hydroxymethyl)phenyl, 6-benzoate
- DTXSID401163972
- 3-Hydroxy-4-(hydroxymethyl)phenyl b-D-glucopyranoside 6-benzoate, 9CI
- CHEBI:176003
- [3,4,5-trihydroxy-6-[3-hydroxy-4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl benzoate
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- Inchi： 1S/C20H22O9/c21-9-12-6-7-13(8-14(12)22)28-20-18(25)17(24)16(23)15(29-20)10-27-19(26)11-4-2-1-3-5-11/h1-8,15-18,20-25H,9-10H2/t15-,16-,17+,18-,20-/m1/s1
- InChI Key： YUHCIIZKQMLHKK-BFMVXSJESA-N
- SMILES： O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1COC(C1C=CC=CC=1)=O)O)O)O)OC1C=CC(CO)=C(C=1)O
Computed Properties
- Exact Mass: 406.12638228g/mol
- Monoisotopic Mass: 406.12638228g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 29
- Rotatable Bond Count: 7
- Complexity: 524
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 146?2
β-D-Glucopyranoside, 3-hydroxy-4-(hydroxymethyl)phenyl, 6-benzoate Related Literature
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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