4-Hydroxy-1-[2-hydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidin-2(1H)-one
Basic information
- CAS
15718-50-0- Standard SMILES
O=c1ccn(C2OC(CO)C3OP(=O)(O)OC32)c(=O)[nH]1- InChIKey
HWDMHJDYMFRXOX-UHFFFAOYSA-N- Molecular formula
- C9H11N2O8P
- Average molar mass
- 306.17 g/mol
- Monoisotopic mass
- 306.02530231
Overview
4-Hydroxy-1-[2-hydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2H-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidin-2(1H)-one has been reported in Homo sapiens with data available.
Names & identifiers
- Preferred name
- 4-Hydroxy-1-[2-hydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidin-2(1H)-one
- IUPAC
- 1-[2-hydroxy-6-(hydroxymethyl)-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4-dione
Names & synonyms
DTXSID40935625HWDMHJDYMFRXOX-UHFFFAOYSA-NAKOS024386979ST510390391-[7-hydroxy-4-(hydroxymethyl)-7-oxo-3,6,8-trioxa-7-phosphabicyclo[3.3.0]oct-2 -yl]-1,3-dihydropyrimidine-2,4-dione4-Hydroxy-1-[2-hydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidin-2(1H)-one
Database identifiers
- CAS
15718-50-0- PubChem CID
- 4634036
- DTXSID
DTXSID40935625
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 536
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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