(2S)-2-amino-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid
Basic information
- CAS
24695-48-5- Standard SMILES
N[C@H](C(=O)O)C1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O- InChIKey
OTBZTPBBZITZBP-AGNOLJMWSA-N- Molecular formula
- C10H13N3O7
- Average molar mass
- 287.23 g/mol
- Monoisotopic mass
- 287.07534976
Names & identifiers
- Preferred name
- (2S)-2-amino-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid
- IUPAC
- (2S)-2-amino-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
Names & synonyms
DTXSID709476351-(5'-Amino-5'-deoxy-.beta.-D-allofuranosyluronoyl)uracil1-(5-Amino-5-deoxyhexofuranuronosyl)-4-hydroxypyrimidin-2(1H)-one1-[(4xi)-5-Amino-5-deoxy-beta-D-ribo-hexofuranuronosyl]-4-hydroxypyrimidin-2(1H)-one(2S)-2-amino-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid
Database identifiers
- CAS
24695-48-5- PubChem CID
- 456513
- DTXSID
DTXSID70947635
Properties
Computed structural properties
- XLogP
- -4.9
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 479
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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