Cas no 7234-31-3 (2-methylphenyl beta-D-glucopyranoside)
7234-31-3 structure
Product Name:2-methylphenyl beta-D-glucopyranoside
CAS No:7234-31-3
MF:C13H18O6
MW:270.278424739838
CID:1755054
PubChem ID:111280
Update Time:2025-04-21
2-methylphenyl beta-D-glucopyranoside Chemical and Physical Properties
Names and Identifiers
-
- 2-methylphenyl beta-D-glucopyranoside
- Glucopyranoside, 1-o-tolyl-, beta-D-
- o-Tolyl-beta-D-glucoside
- beta-D-Glucopyranoside, 2-methylphenyl-
- 7234-31-3
- 1-o-Tolyl-beta-D-glucopyranoside
-
- Inchi： 1S/C13H18O6/c1-7-4-2-3-5-8(7)18-13-12(17)11(16)10(15)9(6-14)19-13/h2-5,9-17H,6H2,1H3/t9-,10-,11+,12-,13-/m1/s1
- InChI Key： ZMPMKKJITSCZNU-UJPOAAIJSA-N
- SMILES： O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)OC1C=CC=CC=1C
Computed Properties
- Exact Mass: 270.11033829g/mol
- Monoisotopic Mass: 270.11033829g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 286
- 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
- Topological Polar Surface Area: 99.4?2
Experimental Properties
- Density: 1.401
- Boiling Point: 485.8°C at 760 mmHg
- Flash Point: 247.6°C
- Refractive Index: 1.609
2-methylphenyl beta-D-glucopyranoside Related Literature
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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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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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