Cas no 76986-26-0 (D-Glucitol,6-chloro-6-deoxy- (9CI))
76986-26-0 structure
Product Name:D-Glucitol,6-chloro-6-deoxy- (9CI)
CAS No:76986-26-0
MF:C6H13ClO5
MW:200.617421865463
CID:566327
PubChem ID:131735
Update Time:2025-04-19
D-Glucitol,6-chloro-6-deoxy- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- D-Glucitol,6-chloro-6-deoxy- (9CI)
- 6-chloro-6-deoxyglucitol
- 1-Chloro-1-deoxyhexitol
- Glucitol, 6-chloro-6-deoxy-
- 76986-26-0
- (2S,3R,4S,5S)-6-chlorohexane-1,2,3,4,5-pentol
- DTXSID60998272
- Q27258932
- 6-chloro-6-deoxy-d-glucitol
- D-GLUCITOL, 6-CHLORO-6-DEOXY-
- UNII-46FWN3EXXJ
- SCHEMBL11071241
- 46FWN3EXXJ
-
- Inchi： 1S/C6H13ClO5/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,8-12H,1-2H2/t3-,4+,5-,6-/m1/s1
- InChI Key： MRGPKZIDNGFPIU-JGWLITMVSA-N
- SMILES： ClC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O
Computed Properties
- Exact Mass: 200.045151
- Monoisotopic Mass: 200.045151
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 123
- 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: _1.8
- Topological Polar Surface Area: 101
Experimental Properties
- Density: 1.567
- Boiling Point: 529.2°C at 760 mmHg
- Flash Point: 273.8°C
- Refractive Index: 1.573
D-Glucitol,6-chloro-6-deoxy- (9CI) Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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