Cas no 58511-73-2 (Glucogallin)
Glucogallin structure
Product Name:Glucogallin
CAS No:58511-73-2
MF:C13H16O10
MW:332.260145187378
CID:375446
PubChem ID:124375
Update Time:2024-02-29
Glucogallin Chemical and Physical Properties
Names and Identifiers
-
- b-D-Glucopyranose,1-(3,4,5-trihydroxybenzoate)
- Glucogallin
- 1-O-Galloylglucose
- D-Glucose, 1-(3,4,5-trihydroxybenzoate)
- DTXSID901029515
- CHEBI:228307
- [(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl] 3,4,5-trihydroxybenzoate
- 58511-73-2
-
- Inchi： 1S/C13H16O10/c1-21-12-9(18)8(17)10(19)13(23-12)22-11(20)4-2-5(14)7(16)6(15)3-4/h2-3,8-10,12-19H,1H3/t8-,9-,10+,12-,13?/m0/s1
- InChI Key： KGHSLXLLBHRMML-PHSPRSPYSA-N
- SMILES： O1[C@@H]([C@H]([C@@H]([C@H](C1OC(C1C=C(C(=C(C=1)O)O)O)=O)O)O)O)OC
Computed Properties
- Exact Mass: 332.074347
- Monoisotopic Mass: 332.074347
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 406
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 166
- XLogP3: -1.3
Experimental Properties
- Density: 1.76
- Boiling Point: 681.1°Cat760mmHg
- Flash Point: 681.1°Cat760mmHg
- Refractive Index: 1.685
Glucogallin Related Literature
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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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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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