2-[(1R,2R,3S,4R)-4-(2,4-dioxopyrimidin-1-yl)-3-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methoxycyclopentyl]ethyl-methoxyphosphinic acid

C17H30N2O10P2 — CID 170364552

IUPAC2-[(1R,2R,3S,4R)-4-(2,4-dioxopyrimidin-1-yl)-3-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methoxycyclopentyl]ethyl-methoxyphosphinic acid
SMILESCO[C@@H]1[C@@H](CCP(=O)(O)OC)C[C@@H](n2ccc(=O)[nH]c2=O)[C@@H]1OP(=O)(O)OC(C)(C)C
InChIInChI=1S/C17H30N2O10P2/c1-17(2,3)29-31(24,25)28-15-12(19-8-6-13(20)18-16(19)21)10-11(14(15)26-4)7-9-30(22,23)27-5/h6,8,11-12,14-15H,7,9-10H2,1-5H3,(H,22,23)(H,24,25)(H,18,20,21)/t11-,12+,14+,15-/m0/s1
InChIKeyIBPUISMFVDDIBK-MXYBEHONSA-N
MW484.38 g/mol
LogP1.64
Rot. Bonds9

About 2-[(1R,2R,3S,4R)-4-(2,4-dioxopyrimidin-1-yl)-3-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methoxycyclopentyl]ethyl-methoxyphosphinic acid

2-[(1R,2R,3S,4R)-4-(2,4-dioxopyrimidin-1-yl)-3-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methoxycyclopentyl]ethyl-methoxyphosphinic acid (PubChem CID 170364552) has the molecular formula C17H30N2O10P2 and a molecular weight of 484.38 g/mol. Its IUPAC name is 2-[(1R,2R,3S,4R)-4-(2,4-dioxopyrimidin-1-yl)-3-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methoxycyclopentyl]ethyl-methoxyphosphinic acid.

Molecular Properties

Compound Name2-[(1R,2R,3S,4R)-4-(2,4-dioxopyrimidin-1-yl)-3-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methoxycyclopentyl]ethyl-methoxyphosphinic acid
PubChem CID170364552
Molecular FormulaC17H30N2O10P2
Molecular Weight484.38 g/mol
Exact Mass484.14
IUPAC Name2-[(1R,2R,3S,4R)-4-(2,4-dioxopyrimidin-1-yl)-3-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methoxycyclopentyl]ethyl-methoxyphosphinic acid
SMILESCO[C@@H]1[C@@H](CCP(=O)(O)OC)C[C@@H](n2ccc(=O)[nH]c2=O)[C@@H]1OP(=O)(O)OC(C)(C)C
InChIInChI=1S/C17H30N2O10P2/c1-17(2,3)29-31(24,25)28-15-12(19-8-6-13(20)18-16(19)21)10-11(14(15)26-4)7-9-30(22,23)27-5/h6,8,11-12,14-15H,7,9-10H2,1-5H3,(H,22,23)(H,24,25)(H,18,20,21)/t11-,12+,14+,15-/m0/s1
InChIKeyIBPUISMFVDDIBK-MXYBEHONSA-N
XLogP1.64
TPSA166.38 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.38
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[(1R,2R,3S,4R)-4-(2,4-dioxopyrimidin-1-yl)-3-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methoxycyclopentyl]ethyl-methoxyphosphinic acid 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

2-[(1R,2R,3S,4S)-4-(2,4-dioxopyrimidin-1-yl)-3-[hydroxy(propan-2-yloxy)phosphoryl]oxy-2-methoxycyclopentyl]ethylphosphonic acid
CID 170365438
2-[(1R,2R,3S,4R)-4-(2,4-dioxopyrimidin-1-yl)-2-[hydroxy(propan-2-yloxy)phosphinothioyl]oxy-3-methoxycyclopentyl]ethylphosphonic acid
CID 170364546
1-[(1R,2R,3R,4S)-4-ethyl-2-methoxy-3-methylcyclopentyl]pyrimidine-2,4-dione
CID 170364597
[1-[(2R,3S,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclopentyl]-2-methylpropan-2-yl]oxy-(2-hydroxypropan-2-yl)phosphinic acid
CID 147850893
[(E)-2-[(1R,2R,3S,4S)-4-(2,4-dioxopyrimidin-1-yl)-2-[hydroxy(methoxy)phosphinothioyl]oxy-3-methoxycyclopentyl]ethenyl]phosphonic acid
CID 170365171
[1-[(1R,2R,3S)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclopentyl]-2-methylpropan-2-yl]oxy-(3-hydroxypentan-3-yl)phosphinic acid
CID 118591825
[(E)-2-[(1R,2R,3S)-4-(2,4-dioxopyrimidin-1-yl)-3-[hydroxy(propan-2-yloxy)phosphinothioyl]oxy-2-methoxycyclopentyl]ethenyl]-methoxyphosphinic acid
CID 170365057
[1-[(1R,2R,3S,4R)-4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclopentyl]-2-methylbutan-2-yl]oxy-[(2R)-2-hydroxybutan-2-yl]phosphinic acid
CID 90181993
3-[[4-(2,4-dioxopyrimidin-1-yl)-2,3-dihydroxycyclopentyl]methyl]pentan-3-yloxy-(2-hydroxybutan-2-yl)phosphinic acid
CID 123746901
[(E)-2-[(1R,2R,3S)-4-(2,4-dioxopyrimidin-1-yl)-2-[hydroxy(2-methylsulfanylethoxy)phosphoryl]oxy-3-methoxycyclopentyl]ethenyl]phosphonic acid
CID 170365031
CID 88572292
CID 88572292
[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyl-3-[(2-methylpropan-2-yl)oxy]oxolan-2-yl]oxymethyl-methoxyphosphinic acid
CID 174224091

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,3S,4R)-4-(2,4-dioxopyrimidin-1-yl)-3-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methoxycyclopentyl]ethyl-methoxyphosphinic acid?
The IUPAC name of 2-[(1R,2R,3S,4R)-4-(2,4-dioxopyrimidin-1-yl)-3-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methoxycyclopentyl]ethyl-methoxyphosphinic acid (CID 170364552) is 2-[(1R,2R,3S,4R)-4-(2,4-dioxopyrimidin-1-yl)-3-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methoxycyclopentyl]ethyl-methoxyphosphinic acid.
What is the SMILES notation for 2-[(1R,2R,3S,4R)-4-(2,4-dioxopyrimidin-1-yl)-3-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methoxycyclopentyl]ethyl-methoxyphosphinic acid?
The canonical SMILES for 2-[(1R,2R,3S,4R)-4-(2,4-dioxopyrimidin-1-yl)-3-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methoxycyclopentyl]ethyl-methoxyphosphinic acid is CO[C@@H]1[C@@H](CCP(=O)(O)OC)C[C@@H](n2ccc(=O)[nH]c2=O)[C@@H]1OP(=O)(O)OC(C)(C)C.
What is the InChIKey of 2-[(1R,2R,3S,4R)-4-(2,4-dioxopyrimidin-1-yl)-3-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methoxycyclopentyl]ethyl-methoxyphosphinic acid?
The InChIKey is IBPUISMFVDDIBK-MXYBEHONSA-N. The full InChI is InChI=1S/C17H30N2O10P2/c1-17(2,3)29-31(24,25)28-15-12(19-8-6-13(20)18-16(19)21)10-11(14(15)26-4)7-9-30(22,23)27-5/h6,8,11-12,14-15H,7,9-10H2,1-5H3,(H,22,23)(H,24,25)(H,18,20,21)/t11-,12+,14+,15-/m0/s1.
What are the key properties of 2-[(1R,2R,3S,4R)-4-(2,4-dioxopyrimidin-1-yl)-3-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methoxycyclopentyl]ethyl-methoxyphosphinic acid?
2-[(1R,2R,3S,4R)-4-(2,4-dioxopyrimidin-1-yl)-3-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methoxycyclopentyl]ethyl-methoxyphosphinic acid has a molecular weight of 484.38 g/mol, XLogP of 1.64, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,3S,4R)-4-(2,4-dioxopyrimidin-1-yl)-3-[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxy-2-methoxycyclopentyl]ethyl-methoxyphosphinic acid is sourced from PubChem (CID 170364552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).