1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide 2,3-diacetate

HCID 150620

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Basic information

CAS: 54918-06-8
Standard SMILES: CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](C(N)=O)O[C@H]1n1ccc(=O)[nH]c1=O
InChIKey: SLYTXACXSBTENO-DTHBNOIPSA-N
Molecular formula: C13H15N3O8
Average molar mass: 341.27 g/mol
Monoisotopic mass: 341.08591445

Names & identifiers

Preferred name: 1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide 2,3-diacetate
IUPAC: [(2S,3S,4R,5R)-4-acetyloxy-2-carbamoyl-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl] acetate

Names & synonyms

1-Deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-ribofuranuronamide 2,3-diacetate54918-06-8beta-D-ribofuranuronamide, 1-deoxy-1-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-, 2,3-diacetate

Database identifiers

CAS: 54918-06-8
PubChem CID: 150620

Properties

Computed structural properties

XLogP: -2.1
Topological polar surface area: 154 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 6
Heavy atoms: 24
Formal charge: 0
Complexity: 631

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