5-Amino-6-(5'-phosphoribitylamino)uracil

HCID 333

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Basic information

Standard SMILES: Nc1c(NCC(O)C(O)C(O)COP(=O)(O)O)[nH]c(=O)[nH]c1=O
InChIKey: RQRINYISXYAZKL-UHFFFAOYSA-N
Molecular formula: C9H17N4O9P
Average molar mass: 356.23 g/mol
Monoisotopic mass: 356.07331513

Names & identifiers

Preferred name: 5-Amino-6-(5'-phosphoribitylamino)uracil
IUPAC: [5-[(5-amino-2,4-dioxo-1H-pyrimidin-6-yl)amino]-2,3,4-trihydroxypentyl] dihydrogen phosphate

Names & synonyms

RefChem:1072636((5-((5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino)-2,3,4-trihydroxypentyl)oxy)phosphonic acid5-Amino-6-(5'-phosphoribitylamino)uracilRQRINYISXYAZKL-UHFFFAOYSA-N5-amino-6 (5'phosphoribitylamino)uracil5-amino-6-(5'phosphoribitylamino)uracil

Database identifiers

PubChem CID: 333

Properties

Computed structural properties

XLogP: -4.3
Topological polar surface area: 224 Å²
Hydrogen bond donors: 9
Hydrogen bond acceptors: 11
Rotatable bonds: 8
Heavy atoms: 23
Formal charge: 0
Complexity: 547

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