Cas no 17278-12-5 ((+)-proto-quercitol)
(+)-proto-quercitol structure
Product Name:(+)-proto-quercitol
CAS No:17278-12-5
MF:C6H12O5
MW:164.156482696533
CID:2000002
PubChem ID:12309654
Update Time:2025-04-21
(+)-proto-quercitol Chemical and Physical Properties
Names and Identifiers
-
- (+)-proto-quercitol
- (1S)-cyclohexane-1r,2t,3,4c,5t-pentaol
- (1S)-Cyclohexanpentol-(1r.2t.3.4c.5t)
- (S)-Cyclohexan-1r,2t,3,4c,5t-pentaol
- 2D-1-deoxy-muco-inositol
- Protoquercitol
- 2,5-cyclohexanepentol
- D-1,3,4
- quercitol
- cyclohexanepentol
- 2-Deoxy-L-chiro-inositol
- (1S,2R,4R,5S)-Cyclohexane-1,2,3,4,5-pentol
- SCHEMBL14542553
- cyclohexane-1,2,3,4,5-pentol
- 17278-12-5
-
- Inchi： 1S/C6H12O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2-11H,1H2/t2-,3-,4+,5+/m0/s1
- InChI Key： IMPKVMRTXBRHRB-QMKXCQHVSA-N
- SMILES： OC1[C@@H]([C@H](C[C@@H]([C@H]1O)O)O)O
Computed Properties
- Exact Mass: 164.068
- Monoisotopic Mass: 164.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 125
- 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: -2.7
- Topological Polar Surface Area: 101A^2
(+)-proto-quercitol Related Literature
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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