[(2R,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-5-fluoro-4-hydroxy-2-(1-hydroxyethyl)oxolan-3-yl] dihydrogen phosphate

C10H14FN2O9P — CID 150802037

IUPAC[(2R,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-5-fluoro-4-hydroxy-2-(1-hydroxyethyl)oxolan-3-yl] dihydrogen phosphate
SMILESCC(O)[C@H]1O[C@@](F)(n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1OP(=O)(O)O
InChIInChI=1S/C10H14FN2O9P/c1-4(14)6-7(22-23(18,19)20)8(16)10(11,21-6)13-3-2-5(15)12-9(13)17/h2-4,6-8,14,16H,1H3,(H,12,15,17)(H2,18,19,20)/t4?,6-,7-,8-,10+/m1/s1
InChIKeyKGBMFAOJZVAMFM-VKMJYPKVSA-N
MW356.20 g/mol
LogP-2.27
Rot. Bonds4

About [(2R,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-5-fluoro-4-hydroxy-2-(1-hydroxyethyl)oxolan-3-yl] dihydrogen phosphate

[(2R,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-5-fluoro-4-hydroxy-2-(1-hydroxyethyl)oxolan-3-yl] dihydrogen phosphate (PubChem CID 150802037) has the molecular formula C10H14FN2O9P and a molecular weight of 356.20 g/mol. Its IUPAC name is [(2R,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-5-fluoro-4-hydroxy-2-(1-hydroxyethyl)oxolan-3-yl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2R,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-5-fluoro-4-hydroxy-2-(1-hydroxyethyl)oxolan-3-yl] dihydrogen phosphate
PubChem CID150802037
Molecular FormulaC10H14FN2O9P
Molecular Weight356.20 g/mol
Exact Mass356.04
IUPAC Name[(2R,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-5-fluoro-4-hydroxy-2-(1-hydroxyethyl)oxolan-3-yl] dihydrogen phosphate
SMILESCC(O)[C@H]1O[C@@](F)(n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1OP(=O)(O)O
InChIInChI=1S/C10H14FN2O9P/c1-4(14)6-7(22-23(18,19)20)8(16)10(11,21-6)13-3-2-5(15)12-9(13)17/h2-4,6-8,14,16H,1H3,(H,12,15,17)(H2,18,19,20)/t4?,6-,7-,8-,10+/m1/s1
InChIKeyKGBMFAOJZVAMFM-VKMJYPKVSA-N
XLogP-2.27
TPSA171.31 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.20
LogP ≤ 5-2.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(2R,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-5-fluoro-4-hydroxy-2-(1-hydroxyethyl)oxolan-3-yl] dihydrogen phosphate 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

[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl] dihydrogen phosphate
CID 155765083
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]-2-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 138722029
(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methyl-5-propan-2-yloxolane-2-carbonitrile
CID 70907690
[[(2R,3S,4S)-4-(2,4-dioxopyrimidin-1-yl)-2-(fluoromethyl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 174067587
1-[(2S,3R,4R,5R)-2,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 66682129
[(2R,3R,4R,5R)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-[(3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 170659357
1-[(1R,3R,4R,5R)-4-hydroxy-3-(hydroxymethyl)-5-methyl-2,6-dioxabicyclo[3.2.0]heptan-1-yl]pyrimidine-2,4-dione
CID 122386656
[(6aR,8S,9S,9aR)-8-(2,4-dioxopyrimidin-1-yl)-8-fluoro-2,2,4,4-tetra(propan-2-yl)-6,6a,9,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl] acetate
CID 102594995
[(2S,5S)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 57130865
[3-(2,4-dioxopyrimidin-1-yl)-4-methyl-2-oxabicyclo[3.1.0]hexan-6-yl] dihydrogen phosphate
CID 123393210
[(2R,3R,4R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 126968626
1-[(2S,4S,5R)-2-amino-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 66967692

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-5-fluoro-4-hydroxy-2-(1-hydroxyethyl)oxolan-3-yl] dihydrogen phosphate?
The IUPAC name of [(2R,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-5-fluoro-4-hydroxy-2-(1-hydroxyethyl)oxolan-3-yl] dihydrogen phosphate (CID 150802037) is [(2R,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-5-fluoro-4-hydroxy-2-(1-hydroxyethyl)oxolan-3-yl] dihydrogen phosphate.
What is the SMILES notation for [(2R,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-5-fluoro-4-hydroxy-2-(1-hydroxyethyl)oxolan-3-yl] dihydrogen phosphate?
The canonical SMILES for [(2R,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-5-fluoro-4-hydroxy-2-(1-hydroxyethyl)oxolan-3-yl] dihydrogen phosphate is CC(O)[C@H]1O[C@@](F)(n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1OP(=O)(O)O.
What is the InChIKey of [(2R,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-5-fluoro-4-hydroxy-2-(1-hydroxyethyl)oxolan-3-yl] dihydrogen phosphate?
The InChIKey is KGBMFAOJZVAMFM-VKMJYPKVSA-N. The full InChI is InChI=1S/C10H14FN2O9P/c1-4(14)6-7(22-23(18,19)20)8(16)10(11,21-6)13-3-2-5(15)12-9(13)17/h2-4,6-8,14,16H,1H3,(H,12,15,17)(H2,18,19,20)/t4?,6-,7-,8-,10+/m1/s1.
What are the key properties of [(2R,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-5-fluoro-4-hydroxy-2-(1-hydroxyethyl)oxolan-3-yl] dihydrogen phosphate?
[(2R,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-5-fluoro-4-hydroxy-2-(1-hydroxyethyl)oxolan-3-yl] dihydrogen phosphate has a molecular weight of 356.20 g/mol, XLogP of -2.27, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-5-fluoro-4-hydroxy-2-(1-hydroxyethyl)oxolan-3-yl] dihydrogen phosphate is sourced from PubChem (CID 150802037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).