2,4(1H,3H)-Pyrimidinedione, 1-(2,3-anhydro-beta-D-lyxofuranosyl)-5-methyl-
Basic information
- CAS
14486-22-7- Standard SMILES
Cc1cn([C@@H]2O[C@H](CO)C3OC32)c(=O)[nH]c1=O- InChIKey
AXBTVCCVDAUCIY-SZDPNDIZSA-N- Molecular formula
- C10H12N2O5
- Average molar mass
- 240.21 g/mol
- Monoisotopic mass
- 240.07462149
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pyrimidinedione, 1-(2,3-anhydro-beta-D-lyxofuranosyl)-5-methyl-
- IUPAC
- 1-[(2R,4R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-5-methylpyrimidine-2,4-dione
- English name
- 2',3'-Anhydroadenosine
- Molecular formula
- C10H12N2O5
- Molecular weight
- 240.21
Names & synonyms
2',3'-Anhydrolyxo-T1-(2,3-Anhydropentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-oneDTXSID109324292,4(1H,3H)-Pyrimidinedione, 1-(2,3-anhydro-beta-D-lyxofuranosyl)-5-methyl-1-((1S,2R,4R,5S)-4-(Hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dioneThymine, 1-(2,3-anhydro-b-D-lyxofuranosyl)-1-(2,3-Anhydro-.beta.-D-lyxofuranosyl)thymine1-(2,3-Anhydro-beta-D-glycero-pentofuranosyl)-4-hydroxy-5-methylpyrimidin-2(1H)-one2,4(1H,3H)-Pyrimidinedione, 1-(2,3-anhydro-.beta.-D-lyxofuranosyl)-5-methyl-1-[(2R,4R)-2-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-4-yl]-5-methyl-pyrimidine-2,4-dione1-[(2R,4R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-5-methylpyrimidine-2,4-dioneAnhydro-T
Show more names
2,3'-Anhydro-T2'',3''-ANHYDROADENOSINEAdenosine 5′-(tetrahydrogen triphosphate), 3′-amino-2′,3′-dideoxy2,4(1H,3H)-Pyrimidinedione, 1-(2,3-anhydro-β-D-lyxofuranosyl)-5-methyl-1-(2,3-Anhydro-beta-D-lyxofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione9-[(1R,5R)-4α-(Hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2α-yl]-9H-purin-6-amine1-[(1R,4R,5R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hex-2-yl]-5-met hyl-pyrimidine-2,4-dione
Database identifiers
- CAS
14486-22-7- PubChem CID
- 451887
- DTXSID
DTXSID10932429
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 91.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 421
Physicochemical properties
- Melting point
- 143.5 · 143.5-144.5 °C
- Density
- 1.505 · 1.505±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- DMSO, Methanol (slightly)
- form
- Solid
- pka
- 9.44 · 9.44±0.10(Predicted)
- color
- White
Chemistry & industry
Applications
Uses2'',3''-Anhydroadenosine is an intermediate in synthesizing Cordycepin (C685800), which is the first reported nucleoside antibiotic.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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