1-[(1R,3R,4R)-6-amino-4-hydroxy-1-(hydroxymethyl)-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-3-yl]pyrimidine-2,4-dione
Basic information
- CAS
141684-50-6- Standard SMILES
NC1=CS(=O)(=O)OC12[C@@H](CO)O[C@@H](n1ccc(=O)[nH]c1=O)[C@@H]2O- InChIKey
YQIJJMWYEVHPQN-MNYIIIIRSA-N- Molecular formula
- C11H13N3O8S
- Average molar mass
- 347.3 g/mol
- Monoisotopic mass
- 347.04233556
Names & identifiers
- Preferred name
- 1-[(1R,3R,4R)-6-amino-4-hydroxy-1-(hydroxymethyl)-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-3-yl]pyrimidine-2,4-dione
- IUPAC
- 1-[(6R,8R,9R)-4-amino-9-hydroxy-6-(hydroxymethyl)-2,2-dioxo-1,7-dioxa-2λ6-thiaspiro[4.4]non-3-en-8-yl]pyrimidine-2,4-dione
- English name
- Aids004715
- Molecular formula
- C11H13N3O8S
- Molecular weight
- 347.30122
Names & synonyms
141684-50-6141781-18-21-[(1R,3R,4R)-6-amino-4-hydroxy-1-(hydroxymethyl)-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-3-yl]pyrimidine-2,4-dioneRiboU TSAO deriv.XyloU TSAO deriv.DTXSID609311691-(beta-D-Ribofuranosyl)uracil)-3'-spiro-5-(4-amino-1,2-oxathiole 2,2-dioxide1-(beta-D-Xylofuranosyl)uracil)-3'-spiro-5-(4-amino-1,2-oxathiole 2,2-dioxide1-(.beta.-D-Ribofuranosyl]uracil]-3'-spiro-5-[4-amino-1,2-oxathiole 2,2-dioxide1-(.beta.-D-Xylofuranosyl]uracil]-3'-spiro-5-[4-amino-1,2-oxathiole 2,2-dioxide(6R,8R,9R)-4-Amino-9-hydroxy-6-(hydroxymethyl)-8-(4-hydroxy-2-oxopyrimidin-1(2H)-yl)-1,7-dioxa-2lambda~6~-thiaspiro[4.4]non-3-ene-2,2-dione4-Amino-9-hydroxy-6-(hydroxymethyl)-8-(4-hydroxy-2-oxopyrimidin-1(2H)-yl)-1,7-dioxa-2lambda~6~-thiaspiro[4.4]non-3-ene-2,2-dione
Show more names
Aids004715Aids-004715
Properties
Computed structural properties
- XLogP
- -3.9
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 726
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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