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

C10H14FN2O9P — CID 155765083

IUPAC[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl] dihydrogen phosphate
SMILESC[C@@H](O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@](O)(F)[C@@H]1OP(=O)(O)O
InChIInChI=1S/C10H14FN2O9P/c1-4(14)6-7(22-23(18,19)20)10(11,17)8(21-6)13-3-2-5(15)12-9(13)16/h2-4,6-8,14,17H,1H3,(H,12,15,16)(H2,18,19,20)/t4-,6-,7-,8-,10-/m1/s1
InChIKeyQUSCPDZVCIAKSA-VHZGFARSSA-N
MW356.20 g/mol
LogP-2.05
Rot. Bonds4

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

[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl] dihydrogen phosphate (PubChem CID 155765083) has the molecular formula C10H14FN2O9P and a molecular weight of 356.20 g/mol. Its IUPAC name is [(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl] dihydrogen phosphate
PubChem CID155765083
Molecular FormulaC10H14FN2O9P
Molecular Weight356.20 g/mol
Exact Mass356.04
IUPAC Name[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl] dihydrogen phosphate
SMILESC[C@@H](O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@](O)(F)[C@@H]1OP(=O)(O)O
InChIInChI=1S/C10H14FN2O9P/c1-4(14)6-7(22-23(18,19)20)10(11,17)8(21-6)13-3-2-5(15)12-9(13)16/h2-4,6-8,14,17H,1H3,(H,12,15,16)(H2,18,19,20)/t4-,6-,7-,8-,10-/m1/s1
InChIKeyQUSCPDZVCIAKSA-VHZGFARSSA-N
XLogP-2.05
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 ≤ 5-2.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-hydroxy-2-[(1R)-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,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)-4-methyloxolan-3-yl] dihydrogen phosphate
CID 14981854
[(2R,3S,4R,5S)-5-(2,4-dioxopyrimidin-1-yl)-5-fluoro-4-hydroxy-2-(1-hydroxyethyl)oxolan-3-yl] dihydrogen phosphate
CID 150802037
1-[(5S)-5-(dihydroxymethyl)-3-fluoro-4-hydroxy-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 163855944
1-[6-(1-hydroxyethyl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione
CID 123334680
1-[(2R,3R,5R)-3-amino-3-(2-chloroethynyl)-4-hydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 167374947
1-[(2R,3R,5R)-3-amino-3-(3-fluoroprop-1-ynyl)-4-hydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 167374885
[(2R,3R,5S)-5-(2,4-dioxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 165361790
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-yl]pyrimidine-2,4-dione
CID 59504113
[3-(2,4-dioxopyrimidin-1-yl)-4-methyl-2-oxabicyclo[3.1.0]hexan-6-yl] dihydrogen phosphate
CID 123393210
[(1S)-1-[(2S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethoxyoxolan-2-yl]ethyl] dihydrogen phosphate
CID 122600466
1-[5-(2,4-dioxopyrimidin-1-yl)-3,4-dimethoxyoxolan-2-yl]ethyl dihydrogen phosphate
CID 139337736
[[(2R,3S,4R,5R)-2-(difluoromethyl)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 118016691

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl] dihydrogen phosphate?
The IUPAC name of [(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) is [(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl] dihydrogen phosphate.
What is the SMILES notation for [(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl] dihydrogen phosphate?
The canonical SMILES for [(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl] dihydrogen phosphate is C[C@@H](O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@](O)(F)[C@@H]1OP(=O)(O)O.
What is the InChIKey of [(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl] dihydrogen phosphate?
The InChIKey is QUSCPDZVCIAKSA-VHZGFARSSA-N. The full InChI is InChI=1S/C10H14FN2O9P/c1-4(14)6-7(22-23(18,19)20)10(11,17)8(21-6)13-3-2-5(15)12-9(13)16/h2-4,6-8,14,17H,1H3,(H,12,15,16)(H2,18,19,20)/t4-,6-,7-,8-,10-/m1/s1.
What are the key properties of [(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl] dihydrogen phosphate?
[(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl] dihydrogen phosphate has a molecular weight of 356.20 g/mol, XLogP of -2.05, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-4-hydroxy-2-[(1R)-1-hydroxyethyl]oxolan-3-yl] dihydrogen phosphate is sourced from PubChem (CID 155765083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).