Basic information
- CAS
605-23-2- Standard SMILES
Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O- InChIKey
DWRXFEITVBNRMK-JAGXHNFQSA-N- Molecular formula
- C10H14N2O6
- Average molar mass
- 258.23 g/mol
- Monoisotopic mass
- 258.08518617
Overview
Spongothymidine is a N-glycosyl compound.
Names & identifiers
- Preferred name
- 1-beta-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione
- IUPAC
- 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
- English name
- Thymine-beta-D-arabinofuranoside
- Molecular formula
- C10H14N2O6
- Molecular weight
- 258.23
Names & synonyms
605-23-2Spongothymidine1-beta-D-ArabinofuranosylthymineThymine arabinosideSpongothymidinara-TNS9U4BEG7YThymine, 1-beta-D-arabinofuranosyl-1-beta-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedionearabinofuranosylthymine1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione2,4(1H,3H)-Pyrimidinedione, 1-beta-D-arabinofuranosyl-5-methyl-
Show more names
Ara-TrGS1999FULL5-Me-Ara-U5-methyl-Ara-Urthyminearabinoside1-β-D-Arabinofuranos
DTXSID201194189NSC-689291 beta-D-arabinofuranosylthymine1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)-5-methylpyrimidine-2,4-dioneRefChem:907520DTXCID501625434210-083-7Arabinosylthymine
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 409
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- solubility
- 0.5 M · 0.5 M HCl: 20mg/mL, clear, colorless
- form
- powder
- optical activity
- 20 · [α]20/D 90°, c =5 mg/mL in water
- InChI
- InChI=1/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7+,9-/s3
- InChIKey
- DWRXFEITVBNRMK-JBPTWFHOSA-N
- SMILES
- [C@H]1(O[C@H](CO)[C@@H](O)[C@@H]1O)N1C=C(C(=O)NC1=O)C |&1:0,2,5,7,r|
- CAS DataBase Reference
- 605 · 605-23-2
- FDA UNII
- 9 U4BEG7Y · NS9U4BEG7Y
- UNSPSC Code
- 41106305 · 41106305
- NACRES
- 51 · NA.51
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 2
- rtecs
- XP2100200
- hs_code
- 29349990
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Applications
Uses1-(B-D-Arabinofuranosyl)thymine can be useful in the study of AftD functions as α1 → 5 arabinofuranosyltransferase involved in biosynthesis of mycobacterial cell wall core.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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