Q105348035

[object Object]
Name(2r,3s,4s,5r)-2,4,5,6-tetrahydroxy-3-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal
WikidataQ105348035
Mol. formulaC12H22O11
CAS registry number-
Mol. weight342.297

Representations

Temporary LOTUS idLTS0119773
Name(2r,3s,4s,5r)-2,4,5,6-tetrahydroxy-3-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal
Canonical SMILESO=C[C@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)CO
2D SMILESO=CC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)CO
IUPAC name(2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal
InChIInChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h2,4-13,15-21H,1,3H2/t4-,5+,6-,7+,8+,9+,10-,11-,12+/m1/s1
InChIKeyYGEHCIVVZVBCLE-IQVNANRASA-N
Deep SMILEScould not be computed
Murcko Frameworknot applicable

Organism taxonomy


DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Fabaceae  Acacia  Acacia pycnantha Wikidata logo
Ref:
Wikidata logo

DomainKingdomPhylumFamilyGenusSpeciesLink to taxonomyLink to Wikidata
 Eukaryota  Archaeplastida  Streptophyta  Pinaceae  Larix  Larix laricina Wikidata logo
Ref:
Wikidata logo

Chemical ontology


PathwaySuperclassClass
CarbohydratesSaccharidesDisaccharides

Molecular Properties

Total atom number45
Heavy atom number23
Bond count23
Number of carbons12
Minimal number of rings1
Maximal number of rings1

Molecular Descriptors

NP-likeness score NaN
Alogp-4.43
Alogp219.63
Apol 44.6114
Bpol 28.8406
EccentricConnectivityIndexDescriptor 355
FmfDescriptor 0.2609
Fsp3 0.9167
FragmentComplexityDescriptor 1519.11
PetitjeanNumber 0.5
LipinskiRuleOf5Failures 2
WienerPathNumber1158
Xlogp -4.433
ZagrebIndex 110
TopoPSA 197.37