(1S,2R,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol
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(1S,2R,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol
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CAS No:
22350-68-1
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Formula:
C7H14O6
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Chemical Name:
(1S,2R,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol
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Synonyms:
L-bornesitol;1D-3-O-Methyl-myo-inositol;L-bornesitol;3-O-Methyl-myo-inositol;(1S,2R,3R,4S,5S,6R)-6-methoxycyclohexane-1,2,3,4,5-pentol;(+)-Bornesitol;L-(+)-bornesito;5-O-Methyl-allo-inositol;1l-1-O-methyl-myo-inositol;SCHEMBL1129143;SCHEMBL7152886;CHEBI:28310;(1S,2R,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol;CCG-36390;ZINC18044205;ZINC100044231;ZINC101179408;C03660;Q27103627;22350-68-1
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CAS No:
Description
1D-3-O-methyl-myo-inositol is a member of the class of methyl myo-inositols that is cyclohexane-1,2,3,4,5-pentol substituted by a methoxy group at position 6 (the 1S,2R,3R,4S,5S,6R-isomer). It has a role as a plant metabolite.
(1S,2R,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol Basic Attributes
194.18 g/mol
194.07903816 g/mol
Computed Properties
Molecular Weight:194.18
XLogP3:-3.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:194.07903816
Monoisotopic Mass:194.07903816
Topological Polar Surface Area:110
Heavy Atom Count:13
Complexity:158
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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