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Oligoses

Beta,beta-trehalose

β,β-海藻糖

PHY-NP-04914 · Natural product research catalog

Catalog numberPHY-NP-04914
CAS number499-23-0
Molecular formulaC12H22O11
Molecular weight342.297 g/mol
Chemical classOligoses
Main reported sourceComatula rotalaria
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Beta,beta-trehalose

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Product information

Beta,beta-trehalose is listed in the Oligoses 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(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
SMILESC([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O
InChIKeyHDTRYLNUVZCQOY-NCFXGAEVSA-N
Subclass / scaffoldDisaccharides
PubChem CID10783457

Computed properties

Exact mass (Da)342.1162Predicted LogP-5.3972
Predicted TPSA (Ų)189.53H-bond donors8
H-bond acceptors11Rotatable bonds4

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

View additional properties & classification
Ring count2
Aromatic rings0
Fraction Csp³1.0
Synthetic accessibility score4.11
QED score0.243
Lipinski rule violations2
NPClassifier pathwayCarbohydrates
NPClassifier superclassSaccharides
NPClassifier classDisaccharides
Parent SMILESOC[C@H]1O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Parent formulaC12H22O11
Parent molecular weight342.297
Specified stereocenters10
Unspecified stereocenters0

Reported natural occurrence

Main reported sourceComatula rotalaria

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

View occurrence records & references
LOTUS species records0
LOTUS reference records0
COCONUT occurrence recordsComatula rotalaria
COCONUT organism records1
COCONUT identifierCNP0217590.8

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.