3',5'-di-O-benzyl-4'-thio-thymidine

HCID 10895445
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Basic information

Standard SMILES
Cc1cn([C@H]2C[C@H](OCc3ccccc3)[C@@H](COCc3ccccc3)S2)c(=O)[nH]c1=O
InChIKey
LNWJHLYVYMLMMA-BHDDXSALSA-N
Molecular formula
C24H26N2O4S
Average molar mass
438.5 g/mol
Monoisotopic mass
438.16132849

Names & identifiers

Preferred name
3',5'-di-O-benzyl-4'-thio-thymidine
IUPAC
5-methyl-1-[(2R,4S,5R)-4-phenylmethoxy-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidine-2,4-dione

Names & synonyms

SCHEMBL8967168LNWJHLYVYMLMMA-BHDDXSALSA-N3',5'-di-O-benzyl-4'-thio-thymidine3',5'-Bis-O-(phenylmethyl)-4'-thiothymidine134700-16-6

Database identifiers

PubChem CID
10895445

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
93.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
31

Related reactions

2 records
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Compound notes

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