1-(3-O-Benzy-4-hydroxymethyl-beta-D-xylofuranosyl)thymine

HCID 10691038

Basic information

Standard SMILES
Cc1cn([C@@H]2OC(CO)(CO)[C@H](OCc3ccccc3)[C@H]2O)c(=O)[nH]c1=O
InChIKey
HXRLMFAWJGDVOP-IIAWOOMASA-N
Molecular formula
C18H22N2O7
Average molar mass
378.4 g/mol

Names & identifiers

Preferred name
1-(3-O-Benzy-4-hydroxymethyl-beta-D-xylofuranosyl)thymine
IUPAC
1-[(2R,3R,4R)-3-hydroxy-5,5-bis(hydroxymethyl)-4-phenylmethoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

Names & synonyms

SCHEMBL2767792HXRLMFAWJGDVOP-IIAWOOMASA-N1-(3-O-Benzy-4-hydroxymethyl-beta-D-xylofuranosyl)thymine1-(3-O-Benzyl-4-C-Hydroxymethyl-beta-D-Xylofuranosyl)Thymine

Database identifiers

PubChem CID
10691038
Nikkaji
J1.402.183C

Properties

Computed structural properties

XLogP
-1.3
Topological polar surface area
129 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
27

Related reactions

4 records

Linked notes

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