Q27103627

[object Object]
Name3-o-methyl-myo-inositol
WikidataQ27103627
Mol. formulaC7H14O6
CAS registry number-
Mol. weight194.1828

Representations

Temporary LOTUS idLTS0249934
Name3-o-methyl-myo-inositol
Canonical SMILESCO[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
2D SMILESCOC1C(O)C(O)C(O)C(O)C1O
IUPAC name(1S,2R,3R,4S,5S,6R)-6-methoxycyclohexane-1,2,3,4,5-pentol
InChIInChI=1S/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3/t2-,3-,4+,5-,6-,7-/m0/s1
InChIKeyDSCFFEYYQKSRSV-ABXOWTNVSA-N
Deep SMILEScould not be computed
Murcko FrameworkC1CCCCC1

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Euphorbiaceae  Croton  Croton celtidifolius Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
CarbohydratesPolyolsCyclitols

Molecular Properties

Total atom number27
Heavy atom number13
Bond count13
Number of carbons7
Minimal number of rings1
Maximal number of rings1

Molecular Descriptors

NP-likeness score 1
Alogp-2.66
Alogp27.05
Apol 26.4671
Bpol 17.2209
EccentricConnectivityIndexDescriptor 117
FmfDescriptor 0.4615
Fsp3 1
FragmentComplexityDescriptor 573.06
PetitjeanNumber 0.3333
LipinskiRuleOf5Failures 0
WienerPathNumber220
Xlogp -1.797
ZagrebIndex 64
TopoPSA 110.38