1-(5'-(L-Alanylamino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracil
Basic information
- CAS
93806-72-5- Standard SMILES
CC(N)C(=O)NC(C(=O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O- InChIKey
LEEINPKXKQPCMH-JZHVCHIGSA-N- Molecular formula
- C13H18N4O8
- Average molar mass
- 358.3 g/mol
- Monoisotopic mass
- 358.11246355
Names & identifiers
- Preferred name
- 1-(5'-(L-Alanylamino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracil
- IUPAC
- 2-(2-aminopropanoylamino)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
Names & synonyms
93806-72-51-(5'-(L-Alanylamino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracilDTXSID609177611-[5'-(L-Alanylamino)-5'- deoxy-.beta.-D- allofuranosyluronic acid]uracil1-{(5xi)-5-[(2-Amino-1-hydroxypropylidene)amino]-5-deoxy-beta-D-ribo-hexofuranuronosyl}-4-hydroxypyrimidin-2(1H)-one1-{5-[(2-Amino-1-hydroxypropylidene)amino]-5-deoxyhexofuranuronosyl}-4-hydroxypyrimidin-2(1H)-one2-(2-aminopropanoylamino)-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid
Database identifiers
- CAS
93806-72-5- PubChem CID
- 456523
- DTXSID
DTXSID60917761
Properties
Computed structural properties
- XLogP
- -5.1
- Topological polar surface area
- 192 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 623
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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