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Saccharides

Ononitol, (+)-

D-松醇

PHY-NP-11748 · Natural product research catalog

Catalog numberPHY-NP-11748
CAS number10284-63-6
Molecular formulaC7H14O6
Molecular weight194.183 g/mol
Chemical classSaccharides
Main reported sourcesoybean
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Ononitol, (+)-

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50 mgRequest quoteTo be confirmedConfirm in quotation
100 mgRequest quoteTo be confirmedConfirm in quotation

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Product information

Ononitol, (+)- is listed in the Saccharides section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name(1S,2S,4S,5R)-6-methoxycyclohexane-1,2,3,4,5-pentol
SMILESCOC1[C@@H]([C@H](C([C@@H]([C@@H]1O)O)O)O)O
InChIKeyDSCFFEYYQKSRSV-FEPQRWDDSA-N
Subclass / scaffoldPolyols:Cyclitols
PubChem CID164619

Computed properties

Exact mass (Da)194.079Predicted LogP-3.1805
Predicted TPSA (Ų)110.38H-bond donors5
H-bond acceptors6Rotatable bonds1

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification
Ring count1
Aromatic rings0
Fraction Csp³1.0
Synthetic accessibility score3.64
QED score0.301
Lipinski rule violations0
NPClassifier pathwayCarbohydrates
NPClassifier superclassPolyols
NPClassifier classCyclitols
Parent SMILESCOC1[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H]1O
Parent formulaC7H14O6
Parent molecular weight194.183
Specified stereocenters4
Unspecified stereocenters2

Reported natural occurrence

Main reported sourcesoybean
Reported source familiesFabaceae; Pinaceae; Aristolochiaceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references
LOTUS / Wikidata speciessoybean[5]; Medicago sativa[3]; Abies pindrow[2]; Bituminaria bituminosa[2]; Senna racemosa[2]; Trifolium repens[2]; Acrostichum speciosum[1]; Adesmia bicolor[1]; Adesmia incana[1]; Aegialitis annulata[1]; Aristolochia arcuata[1]; Aristolochia gigantea[1]; Astragalus verrucosus[1]; Broad Bean[1]; Centrosema pubescens[1]
All reported source familiesFabaceae[59]; Pinaceae[3]; Aristolochiaceae[2]; Zygophyllaceae[2]; Asteraceae[2]; Pteridaceae[1]
Genus / family recordsLotononis[1]
LOTUS species records71
LOTUS reference records41
COCONUT occurrence recordsAbies pindrow; Acacia intertexta; Acrostichum speciosum; Adesmia bicolor; Adesmia incana; Aegialitis annulata; Aristolochia arcuata; Aristolochia gigantea; Astragalus verrucosus; Bituminaria bituminosa; Caesalpinia crista; Cassia obtusifolia; Catharanthus roseus; Centrosema pubescens; Ceratonia siliqua; Chamaecrista dentata; Chamaecrista glandulosa var. glandulosa; Cicer arietinum; Cyclopia intermedia; Dalbergia paniculata; Desmodium intortum; Desmodium sandwicense; Desmodium uncinatum; Ebenus cretica; Eucalyptus australiana; Fagonia indica; Genista corsica; Gliricidia sepium; Lablab purpureus; Lens culinaris
COCONUT organism records77
COCONUT identifierCNP0201870.14

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

Request applicable documentation and handling information before ordering or use.