Cas no 20188-65-2 (D-Glucitol,1-C-1H-benzimidazol-2-yl-, (S)- (9CI))
20188-65-2 structure
Product Name:D-Glucitol,1-C-1H-benzimidazol-2-yl-, (S)- (9CI)
CAS No:20188-65-2
MF:C13H18N2O6
MW:298.291823863983
CID:286985
PubChem ID:244838
Update Time:2025-04-19
D-Glucitol,1-C-1H-benzimidazol-2-yl-, (S)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- D-Glucitol,1-C-1H-benzimidazol-2-yl-, (S)- (9CI)
- 1-(1H-benzimidazol-2-yl)hexane-1,2,3,4,5,6-hexol
- (1'S)-(E)-3-methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol
- (1S)-1-(1H-Benzimidazol-2-yl)-D-glucit
- 3-Methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-2-ol
- 3-Methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)pent-4-en-2-ol
- 4-Penten-2-ol, 3-methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
- AC1O5NCG
- EINECS 267-140-4
- NSC351517
- NSC-73485
- 1-C-1H-Benzimidazol-2-ylhexitol
- 51030-48-9
- 7596-30-7
- NSC403351
- AKOS024332459
- NSC406950
- C13H18N2O6
- 1-C-(1H-benzimidazol-2-yl)hexitol
- 2-(1,2,3,4,5,6-HEXAHYDROXYHEXYL)-BENZIMIDAZOLE
- 20188-65-2
- 860188-56-3
- NCIOpen2_002381
- NSC-403351
- NSC73485
- 1-(1H-Benzo[d]imidazol-2-yl)hexane-1,2,3,4,5,6-hexaol
- NSC-406950
- NSC-351517
- DTXSID90942248
-
- 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)
- InChI Key： CYKWATZSCQBYBA-UHFFFAOYSA-N
- SMILES： OC(C(C(CO)O)O)C(C(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: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.5
- Topological Polar Surface Area: 150?2
Experimental Properties
- PSA: 150.06
- LogP: -1.96780
D-Glucitol,1-C-1H-benzimidazol-2-yl-, (S)- (9CI) Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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