Cas no 83354-79-4 ((4-Methylphenyl)(4-(beta-D-xylopyranosyloxy)phenyl)methanone hydrate)
83354-79-4 structure
Product Name:(4-Methylphenyl)(4-(beta-D-xylopyranosyloxy)phenyl)methanone hydrate
CAS No:83354-79-4
MF:C19H20O6
MW:344.358506202698
CID:988768
PubChem ID:3068322
Update Time:2025-04-20
(4-Methylphenyl)(4-(beta-D-xylopyranosyloxy)phenyl)methanone hydrate Chemical and Physical Properties
Names and Identifiers
-
- (4-Methylphenyl)(4-(beta-D-xylopyranosyloxy)phenyl)methanone hydrate
- (4-methylphenyl)-[4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methanone
- CHEMBL422748
- 4-(4-methylbenzoyl)phenyl beta-D-xylopyranoside
- DTXSID80232281
- Methanone, (4-methylphenyl)(4-(beta-D-xylopyranosyloxy)phenyl)-, hydrate
- 83354-79-4
-
- Inchi： 1S/C19H20O6/c1-11-2-4-12(5-3-11)16(21)13-6-8-14(9-7-13)25-19-18(23)17(22)15(20)10-24-19/h2-9,15,17-20,22-23H,10H2,1H3/t15-,17+,18-,19+/m1/s1
- InChI Key： DRQYAGYFRQBGMO-LULLPPNCSA-N
- SMILES： O1C[C@H]([C@@H]([C@H]([C@@H]1OC1C=CC(C(C2C=CC(C)=CC=2)=O)=CC=1)O)O)O
Computed Properties
- Exact Mass: 344.12598835g/mol
- Monoisotopic Mass: 344.12598835g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 25
- Rotatable Bond Count: 4
- Complexity: 439
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 96.2?2
(4-Methylphenyl)(4-(beta-D-xylopyranosyloxy)phenyl)methanone hydrate Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Jason Wan Lab Chip, 2020,20, 4528-4538
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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