Cas no 86588-94-5 (2',3,5-Tris(3,4,5-trihydroxybenzoyl-beta-D-Furanose-2-C-Hydroxymethylribose)
86588-94-5 structure
Product Name:2',3,5-Tris(3,4,5-trihydroxybenzoyl-beta-D-Furanose-2-C-Hydroxymethylribose
CAS No:86588-94-5
MF:C27H24O18
MW:636.468669891357
CID:2004835
PubChem ID:13270020
Update Time:2025-04-21
2',3,5-Tris(3,4,5-trihydroxybenzoyl-beta-D-Furanose-2-C-Hydroxymethylribose Chemical and Physical Properties
Names and Identifiers
-
- 2',3,5-Tri-O-galloylhamamelose
- PD179131
- [4,5-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-4-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxolan-2-yl]methyl 3,4,5-trihydroxybenzoate
- CHEBI:178130
- D-Ribose, 2-c-(((3,4,5-trihydroxybenzoyl)oxy)methyl)-, 3,5-bis(3,4,5-trihydroxybenzoate)
- 86588-94-5
- 3-O-Galloylhamamelitannin
- 2',3,5-Tri-O-galloylhamamelofuranose
- 2',3,5-Tris(3,4,5-trihydroxybenzoyl-beta-D-Furanose-2-C-Hydroxymethylribose
-
- Inchi： 1S/C27H24O18/c28-12-1-9(2-13(29)19(12)34)23(37)42-7-18-22(45-25(39)11-5-16(32)21(36)17(33)6-11)27(41,26(40)44-18)8-43-24(38)10-3-14(30)20(35)15(31)4-10/h1-6,18,22,26,28-36,40-41H,7-8H2
- InChI Key： KCQFLGUEZXYOER-UHFFFAOYSA-N
- SMILES： O1C(C(COC(C2C=C(C(=C(C=2)O)O)O)=O)(C(C1COC(C1C=C(C(=C(C=1)O)O)O)=O)OC(C1C=C(C(=C(C=1)O)O)O)=O)O)O
Computed Properties
- Exact Mass: 636.09626391g/mol
- Monoisotopic Mass: 636.09626391g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 11
- Hydrogen Bond Acceptor Count: 18
- Heavy Atom Count: 45
- Rotatable Bond Count: 11
- Complexity: 1020
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.1
- Topological Polar Surface Area: 311?2
2',3,5-Tris(3,4,5-trihydroxybenzoyl-beta-D-Furanose-2-C-Hydroxymethylribose Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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