1-[(2R)-3,4-dihydroxy-5-[[hydroxy(oxido)phosphinothioyl]oxymethyl]-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione

C9H10N2O8PS- — CID 144726560

IUPAC1-[(2R)-3,4-dihydroxy-5-[[hydroxy(oxido)phosphinothioyl]oxymethyl]-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@@H]2OC(COP([O-])(O)=S)=C(O)C2O)c(=O)[nH]1
InChIInChI=1S/C9H11N2O8PS/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(19-8)3-18-20(16,17)21/h1-2,7-8,13-14H,3H2,(H,10,12,15)(H2,16,17,21)/p-1/t7?,8-/m1/s1
InChIKeyUEQHTDVQXKEYCG-BRFYHDHCSA-M
MW337.23 g/mol
LogP-2.21
Rot. Bonds4

About 1-[(2R)-3,4-dihydroxy-5-[[hydroxy(oxido)phosphinothioyl]oxymethyl]-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione

1-[(2R)-3,4-dihydroxy-5-[[hydroxy(oxido)phosphinothioyl]oxymethyl]-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione (PubChem CID 144726560) has the molecular formula C9H10N2O8PS- and a molecular weight of 337.23 g/mol. Its IUPAC name is 1-[(2R)-3,4-dihydroxy-5-[[hydroxy(oxido)phosphinothioyl]oxymethyl]-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R)-3,4-dihydroxy-5-[[hydroxy(oxido)phosphinothioyl]oxymethyl]-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione
PubChem CID144726560
Molecular FormulaC9H10N2O8PS-
Molecular Weight337.23 g/mol
Exact Mass336.99
IUPAC Name1-[(2R)-3,4-dihydroxy-5-[[hydroxy(oxido)phosphinothioyl]oxymethyl]-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@@H]2OC(COP([O-])(O)=S)=C(O)C2O)c(=O)[nH]1
InChIInChI=1S/C9H11N2O8PS/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(19-8)3-18-20(16,17)21/h1-2,7-8,13-14H,3H2,(H,10,12,15)(H2,16,17,21)/p-1/t7?,8-/m1/s1
InChIKeyUEQHTDVQXKEYCG-BRFYHDHCSA-M
XLogP-2.21
TPSA157.07 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 5-2.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-[(2R)-3,4-dihydroxy-5-[[hydroxy(oxido)phosphinothioyl]oxymethyl]-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-4-hydroxy-5-(hydroxymethyl)-3-methoxy-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 144647512
sodium [(2S,3R,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 44659300
Uridine 5'-monophosphate, disodium salt
CID 123134060
[(2R,3R)-2-(2,4-dioxopyrimidin-1-yl)-3-fluoro-5-(hydroxymethyl)-2,3-dihydrofuran-4-yl] dihydrogen phosphate
CID 656946
[(2R,3R,5R)-5-(2,4-dioxo(2,4,5,6-13C4)pyrimidin-1-yl)-3,4-dihydroxy(2,3,4,5-13C4)oxolan-2-yl](113C)methyl dihydrogen phosphate
CID 169494018
[(2R,3S,4S,5R)-5-(2,4-dioxo(213C,1,3-15N2)pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 71313476
azane;[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 174951167
tetrasodium;[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;hydride
CID 173290744
dipotassium;[(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate;hydride
CID 174705830
2-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethyl dihydrogen phosphate
CID 118604619
[[[(2R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-oxidophosphoryl] phosphate
CID 58220132
CID 70523066
CID 70523066

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3,4-dihydroxy-5-[[hydroxy(oxido)phosphinothioyl]oxymethyl]-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R)-3,4-dihydroxy-5-[[hydroxy(oxido)phosphinothioyl]oxymethyl]-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione (CID 144726560) is 1-[(2R)-3,4-dihydroxy-5-[[hydroxy(oxido)phosphinothioyl]oxymethyl]-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R)-3,4-dihydroxy-5-[[hydroxy(oxido)phosphinothioyl]oxymethyl]-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R)-3,4-dihydroxy-5-[[hydroxy(oxido)phosphinothioyl]oxymethyl]-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione is O=c1ccn([C@@H]2OC(COP([O-])(O)=S)=C(O)C2O)c(=O)[nH]1.
What is the InChIKey of 1-[(2R)-3,4-dihydroxy-5-[[hydroxy(oxido)phosphinothioyl]oxymethyl]-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione?
The InChIKey is UEQHTDVQXKEYCG-BRFYHDHCSA-M. The full InChI is InChI=1S/C9H11N2O8PS/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(19-8)3-18-20(16,17)21/h1-2,7-8,13-14H,3H2,(H,10,12,15)(H2,16,17,21)/p-1/t7?,8-/m1/s1.
What are the key properties of 1-[(2R)-3,4-dihydroxy-5-[[hydroxy(oxido)phosphinothioyl]oxymethyl]-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione?
1-[(2R)-3,4-dihydroxy-5-[[hydroxy(oxido)phosphinothioyl]oxymethyl]-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione has a molecular weight of 337.23 g/mol, XLogP of -2.21, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3,4-dihydroxy-5-[[hydroxy(oxido)phosphinothioyl]oxymethyl]-2,3-dihydrofuran-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 144726560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).