1-(2-Azido-2-deoxy-5-O-trityl-beta-D-xylofuranosyl)thymine

HCID 453032

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Basic information

CAS: 132776-24-0
Standard SMILES: Cc1cn([C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H](O)[C@H]2N=[N+]=[N-])c(=O)[nH]c1=O
InChIKey: UJSNBJFRRVDUSB-HIQYAUPDSA-N
Molecular formula: C29H27N5O5
Average molar mass: 525.6 g/mol
Monoisotopic mass: 525.20121898

Names & identifiers

Preferred name: 1-(2-Azido-2-deoxy-5-O-trityl-beta-D-xylofuranosyl)thymine
IUPAC: 1-[(2R,3R,4R,5R)-3-azido-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

Names & synonyms

2'-Azido-xylo isomer132776-24-01-(2-Azido-2-deoxy-5-O-trityl-beta-D-xylofuranosyl)thymineCHEMBL3144329DTXSID801577831-(2-Azido-2-deoxy-5-O-trityl-.beta.-D-xylofuranosyl)thymine1-[(2R,3R,4R,5R)-3-azido-4-hydroxy-5-(trityloxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione1-[2-Azido-2-deoxy-5-O-(triphenylmethyl)-beta-D-xylofuranosyl]-5-methylpyrimidine-2,4(1H,3H)-dione

Database identifiers

CAS: 132776-24-0
PubChem CID: 453032
DTXSID: DTXSID80157783
ChEMBL: CHEMBL3144329

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 102 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 39
Formal charge: 0
Complexity: 918

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