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Chemical structure of Telbivudine
Nucleosides

Telbivudine

替比夫定

PHY-NP-06754 · Natural product research catalog

Catalog numberPHY-NP-06754
CAS number3424-98-4
Molecular formulaC10H14N2O5
Molecular weight242.231 g/mol
Chemical classNucleosides
Purity / assayConfirmed in quotation and batch COA

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Product information

Telbivudine is listed in the Nucleosides 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 name1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2)CO)O
InChIKeyIQFYYKKMVGJFEH-CSMHCCOUSA-N
Subclass / scaffoldPyrimidine nucleos(t)ides
PubChem CID159269

Computed properties & structure classification

Exact mass (Da)242.0903Predicted LogP-1.5143
Predicted TPSA (Ų)104.55H-bond donors3
H-bond acceptors6Rotatable bonds2
Ring count2Aromatic rings1
Fraction Csp³0.6Synthetic accessibility score3.38
QED score0.584Lipinski rule violations0
NPClassifier pathwayCarbohydratesNPClassifier superclassNucleosides
NPClassifier classPyrimidine nucleos(t)idesParent SMILESCc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O
Parent formulaC10H14N2O5Parent molecular weight242.231
Specified stereocenters3Unspecified stereocenters0

Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.

Reported natural occurrence

Main reported sourceAnethum Graveolens
LOTUS species records0
LOTUS reference records0
COCONUT occurrence recordsAnethum Graveolens;Anethum graveolens;Aplidium pantherinum;Aplysia kurodai;Asterias forbesi;Atriolum robustum;Biemna ehrenbergi;Caenorhabditis elegans;Carteriospongia;Cascuta australis;Chara globularis;Clathrina;Conioselinum anthriscoides;Cryptochiton stelleri;Eleutherococcus senticosus;Equisetum giganteum;Equisetum ramosissimum;Escherichia coli;Eurycoma longifolia;FOOD SAKE;Foeniculum vulgare;Fritillaria anhuiensis;Fritillaria cirrhosa;Fritillaria przewalskii;Fritillaria thunbergii;Fritillaria ussuriensis;Fritillaria verticillata var.thunbergii;Glycine tabacina;Gymnadenia conopsea;Gymnadenia conopsea R.BR.;…
COCONUT organism records52
COCONUT identifierCNP0244671.2

Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.

Structure resources

Documents & specifications

Certificate of analysis (COA)Batch-specific document pending; not available in this preview
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

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