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Oligoses

Agaropentaose

琼胶五糖

PHY-NP-04992 · Natural product research catalog

Catalog numberPHY-NP-04992
CAS number155015-99-9
Molecular formulaC30H48O24
Molecular weight792.69 g/mol
Chemical classOligoses
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of Agaropentaose

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Product information

Agaropentaose 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,3R,4S,5S,6R)-4-[[(1S,3S,4S,5S,8R)-8-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[[(1S,3S,4S,5S,8R)-4-hydroxy-8-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]oxan-2-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-3-yl]oxy]-6-(hydroxymethyl)oxane-2,3,5-triol
SMILESC1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@@H](O2)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)O[C@@H]4[C@@H]5CO[C@H]4[C@@H]([C@@H](O5)O[C@H]6[C@H]([C@H](O[C@H]([C@@H]6O)O)CO)O)O)CO)O)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O
InChIKeyYKYIBFHYGKNHKT-XNHDDFGWSA-N
Subclass / scaffoldPolysaccharides
PubChem CID54758642

Computed properties

Exact mass (Da)792.2536Predicted LogP-9.8334
Predicted TPSA (Ų)364.52H-bond donors13
H-bond acceptors24Rotatable bonds11

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

View additional properties & classification
Ring count7
Aromatic rings0
Fraction Csp³1.0
Synthetic accessibility score6.87
QED score0.092
Lipinski rule violations3
NPClassifier pathwayCarbohydrates
NPClassifier superclassSaccharides
NPClassifier classPolysaccharides
Parent SMILESOC[C@H]1O[C@@H](O[C@H]2[C@H]3OC[C@@H]2O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H]5OC[C@@H]4O[C@@H](O[C@@H]4[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]4O)[C@H]5O)[C@@H]2O)[C@H]3O)[C@H](O)[C@@H](O)[C@H]1O
Parent formulaC30H48O24
Parent molecular weight792.69
Specified stereocenters25
Unspecified stereocenters0

Reported natural occurrence

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

View occurrence records & references
LOTUS species records0
LOTUS reference records0
COCONUT organism records0

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.