OxathiolanU-(-)-alpha
Basic information
- CAS
149819-45-4- Standard SMILES
O=c1ccn([C@@H]2CS[C@@H](CO)O2)c(=O)[nH]1- InChIKey
BNVOMPQTQUUYHU-BQBZGAKWSA-N- Molecular formula
- C8H10N2O4S
- Average molar mass
- 230.24 g/mol
- Monoisotopic mass
- 230.03612798
Names & identifiers
- Preferred name
- OxathiolanU-(-)-alpha
- IUPAC
- 1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
Names & synonyms
OxathiolanU-(-)-alpha149819-45-4Oxathiolan U-(-)-alpha(-)-(2S,5S)-1-(2-(Hydroxymethyl)-1,3-oxathiolan-5-yl)uracil1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione2,4(1H,3H)-Pyrimidinedione, 1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2S-trans)-(-)-(2S,5S)-1-[2-(Hydroxymethyl)-1,3-oxathiolan-5-yl]uracil2,4(1H,3H)-Pyrimidinedione, 1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-, (2S-trans)-OxathiolanU-(-).a.DTXSID20164390Trans-2-Hydroxymethyl-5-(uracil-N-1'-yl)-1,3-oxathiolane1-[(2S,5S)-2-(Hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
149819-45-4- PubChem CID
- 465895
- DTXSID
DTXSID20164390- Nikkaji
- J558.724G
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 320
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Compound notes
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