Isomannide
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Isomannide
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CAS No:
641-74-7
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Formula:
C6H10O4
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Chemical Name:
Isomannide
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Synonyms:
D-Mannitol,1,4:3,6-dianhydro-;Mannitol,1,4:3,6-dianhydro-,D-;1,4:3,6-Dianhydro-D-mannitol;Furo[3,2-b]furan,D-mannitol deriv.;Isomannide;(+)-Isomannide;1,4:3,6-Dianhydromannitol;Dianhydromannitol;NSC 270938;(3R,3aR,6R,6aR)-Hexahydrofuro[3,2-b]furan-3,6-diol;D-Isomannide;876590-73-7
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CAS No:
Characteristics
58.9
-1.49420
Off White Crystals
1.5±0.1 g/cm3
88 °C
95-99 °C @ Press: 0.8 Torr
178.8±27.9 °C
1.562
H2O: almost transparency
Keep container tightly sealed. Store in cool, dry place in tightly closed containers.
4.71E-07mmHg at 25°C
89 º (c=3, H2O)
Safety Information
3
22-24/25
Decomposition will not occur if used and stored according to specifications.
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Isomannide Use and Manufacturing
It is obtained by elimination (dehydration) cyclization with sorbitol under the action of sulfuric acid.
Intermediate of isosorbide nitrate.
Computed Properties
Molecular Weight:146.14
XLogP3:-1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:146.05790880
Monoisotopic Mass:146.05790880
Topological Polar Surface Area:58.9
Heavy Atom Count:10
Complexity:122
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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