[(3R,4S)-3-[(2,4-dioxopyrimidin-1-yl)methoxy]-4-hydroxypentyl]phosphonic acid

C10H17N2O7P — CID 10638490

IUPAC[(3R,4S)-3-[(2,4-dioxopyrimidin-1-yl)methoxy]-4-hydroxypentyl]phosphonic acid
SMILESC[C@H](O)[C@@H](CCP(=O)(O)O)OCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H17N2O7P/c1-7(13)8(3-5-20(16,17)18)19-6-12-4-2-9(14)11-10(12)15/h2,4,7-8,13H,3,5-6H2,1H3,(H,11,14,15)(H2,16,17,18)/t7-,8+/m0/s1
InChIKeyHKLNARHUHSCNHT-JGVFFNPUSA-N
MW308.23 g/mol
LogP-1.17
Rot. Bonds7

About [(3R,4S)-3-[(2,4-dioxopyrimidin-1-yl)methoxy]-4-hydroxypentyl]phosphonic acid

[(3R,4S)-3-[(2,4-dioxopyrimidin-1-yl)methoxy]-4-hydroxypentyl]phosphonic acid (PubChem CID 10638490) has the molecular formula C10H17N2O7P and a molecular weight of 308.23 g/mol. Its IUPAC name is [(3R,4S)-3-[(2,4-dioxopyrimidin-1-yl)methoxy]-4-hydroxypentyl]phosphonic acid.

Molecular Properties

Compound Name[(3R,4S)-3-[(2,4-dioxopyrimidin-1-yl)methoxy]-4-hydroxypentyl]phosphonic acid
PubChem CID10638490
Molecular FormulaC10H17N2O7P
Molecular Weight308.23 g/mol
Exact Mass308.08
IUPAC Name[(3R,4S)-3-[(2,4-dioxopyrimidin-1-yl)methoxy]-4-hydroxypentyl]phosphonic acid
SMILESC[C@H](O)[C@@H](CCP(=O)(O)O)OCn1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H17N2O7P/c1-7(13)8(3-5-20(16,17)18)19-6-12-4-2-9(14)11-10(12)15/h2,4,7-8,13H,3,5-6H2,1H3,(H,11,14,15)(H2,16,17,18)/t7-,8+/m0/s1
InChIKeyHKLNARHUHSCNHT-JGVFFNPUSA-N
XLogP-1.17
TPSA141.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.23
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [(3R,4S)-3-[(2,4-dioxopyrimidin-1-yl)methoxy]-4-hydroxypentyl]phosphonic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-[(2,4-dioxopyrimidin-1-yl)methoxy]-4-hydroxypentyl]phosphonic acid?
The IUPAC name of [(3R,4S)-3-[(2,4-dioxopyrimidin-1-yl)methoxy]-4-hydroxypentyl]phosphonic acid (CID 10638490) is [(3R,4S)-3-[(2,4-dioxopyrimidin-1-yl)methoxy]-4-hydroxypentyl]phosphonic acid.
What is the SMILES notation for [(3R,4S)-3-[(2,4-dioxopyrimidin-1-yl)methoxy]-4-hydroxypentyl]phosphonic acid?
The canonical SMILES for [(3R,4S)-3-[(2,4-dioxopyrimidin-1-yl)methoxy]-4-hydroxypentyl]phosphonic acid is C[C@H](O)[C@@H](CCP(=O)(O)O)OCn1ccc(=O)[nH]c1=O.
What is the InChIKey of [(3R,4S)-3-[(2,4-dioxopyrimidin-1-yl)methoxy]-4-hydroxypentyl]phosphonic acid?
The InChIKey is HKLNARHUHSCNHT-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H17N2O7P/c1-7(13)8(3-5-20(16,17)18)19-6-12-4-2-9(14)11-10(12)15/h2,4,7-8,13H,3,5-6H2,1H3,(H,11,14,15)(H2,16,17,18)/t7-,8+/m0/s1.
What are the key properties of [(3R,4S)-3-[(2,4-dioxopyrimidin-1-yl)methoxy]-4-hydroxypentyl]phosphonic acid?
[(3R,4S)-3-[(2,4-dioxopyrimidin-1-yl)methoxy]-4-hydroxypentyl]phosphonic acid has a molecular weight of 308.23 g/mol, XLogP of -1.17, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-[(2,4-dioxopyrimidin-1-yl)methoxy]-4-hydroxypentyl]phosphonic acid is sourced from PubChem (CID 10638490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).