Cas no 40656-50-6 (2,3:5,6-di-o-cyclohexylidene-d-mannolactone)
40656-50-6 structure
Product Name:2,3:5,6-di-o-cyclohexylidene-d-mannolactone
CAS No:40656-50-6
MF:C18H26O6
MW:338.395446300507
CID:926045
PubChem ID:191023
Update Time:2025-04-19
2,3:5,6-di-o-cyclohexylidene-d-mannolactone Chemical and Physical Properties
Names and Identifiers
-
- 2,3:5,6-di-o-cyclohexylidene-d-mannolactone
- 2,3:5,6-DI-O-CYCLOHEXYLIDENE-D-MANNOLACTONE, 98
- O2,O3,O5,O6-Dicyclohexyliden-D-mannonsaeure-lacton
- O2,O3,O5,O6-dicyclohexylidene-D-mannonic acid-lactone
- (6R)-6-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]spiro[6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,1'-cyclohexane]-4-one
- 2,3-5,6-Di-O-cyclohexylidene-D-mannonolactone
- D-Mannonic acid, 2,3:5,6-di-O-cyclohexylidene-, gamma-lactone
- 40656-50-6
-
- Inchi： 1S/C18H26O6/c19-16-15-14(23-18(24-15)9-5-2-6-10-18)13(21-16)12-11-20-17(22-12)7-3-1-4-8-17/h12-15H,1-11H2/t12-,13-,14?,15?/m1/s1
- InChI Key： LSYWGADBJSVSSP-LMRVLLHPSA-N
- SMILES： O1C2(CCCCC2)OC2C(=O)O[C@H]([C@H]3COC4(CCCCC4)O3)C12
Computed Properties
- Exact Mass: 338.17300
- Monoisotopic Mass: 338.17293854g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 24
- Rotatable Bond Count: 1
- Complexity: 508
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 63.2
Experimental Properties
- Color/Form: Not available
- Density: 1.1634 (rough estimate)
- Melting Point: 110 °C
- Boiling Point: 434.54°C (rough estimate)
- Refractive Index: 1.5200 (estimate)
- PSA: 63.22000
- LogP: 2.43200
- Solubility: Not available
2,3:5,6-di-o-cyclohexylidene-d-mannolactone Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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