Cas no 47167-80-6 (D-Galactitol,1-C-1H-benzimidazol-2-yl-, (S)- (9CI))
47167-80-6 structure
Product Name:D-Galactitol,1-C-1H-benzimidazol-2-yl-, (S)- (9CI)
CAS No:47167-80-6
MF:C13H18N2O6
MW:298.291823863983
CID:334171
PubChem ID:244835
Update Time:2025-04-19
D-Galactitol,1-C-1H-benzimidazol-2-yl-, (S)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- D-Galactitol,1-C-1H-benzimidazol-2-yl-, (S)- (9CI)
- (1S)-1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
- 6631-58-9
- NSC-56091
- NSC-56092
- 47167-80-6
- NSC56091
- NSC56092
-
- Inchi： 1S/C13H18N2O6/c16-5-8(17)9(18)10(19)11(20)12(21)13-14-6-3-1-2-4-7(6)15-13/h1-4,8-12,16-21H,5H2,(H,14,15)/t8?,9?,10?,11?,12-/m1/s1
- InChI Key： CYKWATZSCQBYBA-MGEHAVSKSA-N
- SMILES： OC(C(C(CO)O)O)C([C@H](C1=NC2C=CC=CC=2N1)O)O
Computed Properties
- Exact Mass: 298.11654
- Monoisotopic Mass: 298.11648630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 7
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 334
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.5
- Topological Polar Surface Area: 150?2
Experimental Properties
- PSA: 150.06
D-Galactitol,1-C-1H-benzimidazol-2-yl-, (S)- (9CI) Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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