1-(5'-(L-Alanylmethylamino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracil
Basic information
- CAS
93806-87-2- Standard SMILES
CC(N)C(=O)N(C)C(C(=O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O- InChIKey
FUFUAMIZVBMFET-CFXOCILPSA-N- Molecular formula
- C14H20N4O8
- Average molar mass
- 372.33 g/mol
- Monoisotopic mass
- 372.12811361
Names & identifiers
- Preferred name
- 1-(5'-(L-Alanylmethylamino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracil
- IUPAC
- 2-[2-aminopropanoyl(methyl)amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
Names & synonyms
93806-87-21-(5'-(L-Alanylmethylamino)-5'-deoxy-beta-D-allofuranosyluronic acid)uracil1-[5'-(L-Alanylmethylamino)-5'-deoxy-.beta.-D- allofuranosyluronic acid]uracil2-[2-aminopropanoyl(methyl)amino]-2-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid
Database identifiers
- CAS
93806-87-2- PubChem CID
- 456530
Properties
Computed structural properties
- XLogP
- -5.8
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 653
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Compound notes
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