Cas no 4990-84-5 (b-D-Glucopyranoside, methyl6-chloro-6-deoxy-)
4990-84-5 structure
Product Name:b-D-Glucopyranoside, methyl6-chloro-6-deoxy-
CAS No:4990-84-5
MF:C7H13ClO5
MW:212.628122091293
CID:332388
PubChem ID:122201212
Update Time:2025-04-19
b-D-Glucopyranoside, methyl6-chloro-6-deoxy- Chemical and Physical Properties
Names and Identifiers
-
- b-D-Glucopyranoside, methyl6-chloro-6-deoxy-
- beta-D-Glucopyranoside, methyl 6-chloro-6-deoxy-
- NSC-179645
- Methyl-6-chloro-6-deoxy-beta-D-glucopyranoside
- Q27896807
- 4990-84-5
- SC49IVI1MZ
- METHYL-6-CHLORO-6-DEOXY-.BETA.-D-GLUCOPYRANOSIDE
- UNII-SC49IVI1MZ
- .BETA.-D-GLUCOPYRANOSIDE, METHYL 6-CHLORO-6-DEOXY-
- (2S,3S,4S,5R,6R)-2-(Chloromethyl)-6-methoxy-tetrahydropyran-3,4,5-triol
- Methyl 6-chloro-6-deoxy-beta-D-glucopyranoside
-
- Inchi： 1S/C7H13ClO5/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-7,9-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1
- InChI Key： TZECRHYTLKLTSH-XUUWZHRGSA-N
- SMILES： ClC[C@@H]1[C@H]([C@@H]([C@H]([C@H](OC)O1)O)O)O
Computed Properties
- Exact Mass: 212.0451512g/mol
- Monoisotopic Mass: 212.0451512g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 167
- 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: -1.3
- Topological Polar Surface Area: 79.2?2
b-D-Glucopyranoside, methyl6-chloro-6-deoxy- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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3. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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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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