2-[(2R,4S,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2-methylidene-4-oxopyrimidin-1-yl]oxolan-2-yl]ethyl-[(hydroxy-methyl-methylidene-λ5-phosphanyl)methyl]phosphinic acid

C15H26N2O8P2 — CID 122488477

IUPAC2-[(2R,4S,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2-methylidene-4-oxopyrimidin-1-yl]oxolan-2-yl]ethyl-[(hydroxy-methyl-methylidene-λ5-phosphanyl)methyl]phosphinic acid
SMILESC=C1NC(=O)C(CO)=CN1[C@@H]1O[C@H](CCP(=O)(O)CP(=C)(C)O)C(O)[C@@H]1O
InChIInChI=1S/C15H26N2O8P2/c1-9-16-14(21)10(7-18)6-17(9)15-13(20)12(19)11(25-15)4-5-27(23,24)8-26(2,3)22/h6,11-13,15,18-20,22H,1-2,4-5,7-8H2,3H3,(H,16,21)(H,23,24)/t11-,12?,13+,15-,26?/m1/s1
InChIKeyDJAZHWSNXQCYGO-FDGCTYEWSA-N
MW424.33 g/mol
LogP-1.18
Rot. Bonds7

About 2-[(2R,4S,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2-methylidene-4-oxopyrimidin-1-yl]oxolan-2-yl]ethyl-[(hydroxy-methyl-methylidene-λ5-phosphanyl)methyl]phosphinic acid

2-[(2R,4S,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2-methylidene-4-oxopyrimidin-1-yl]oxolan-2-yl]ethyl-[(hydroxy-methyl-methylidene-λ5-phosphanyl)methyl]phosphinic acid (PubChem CID 122488477) has the molecular formula C15H26N2O8P2 and a molecular weight of 424.33 g/mol. Its IUPAC name is 2-[(2R,4S,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2-methylidene-4-oxopyrimidin-1-yl]oxolan-2-yl]ethyl-[(hydroxy-methyl-methylidene-λ5-phosphanyl)methyl]phosphinic acid.

Molecular Properties

Compound Name2-[(2R,4S,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2-methylidene-4-oxopyrimidin-1-yl]oxolan-2-yl]ethyl-[(hydroxy-methyl-methylidene-λ5-phosphanyl)methyl]phosphinic acid
PubChem CID122488477
Molecular FormulaC15H26N2O8P2
Molecular Weight424.33 g/mol
Exact Mass424.12
IUPAC Name2-[(2R,4S,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2-methylidene-4-oxopyrimidin-1-yl]oxolan-2-yl]ethyl-[(hydroxy-methyl-methylidene-λ5-phosphanyl)methyl]phosphinic acid
SMILESC=C1NC(=O)C(CO)=CN1[C@@H]1O[C@H](CCP(=O)(O)CP(=C)(C)O)C(O)[C@@H]1O
InChIInChI=1S/C15H26N2O8P2/c1-9-16-14(21)10(7-18)6-17(9)15-13(20)12(19)11(25-15)4-5-27(23,24)8-26(2,3)22/h6,11-13,15,18-20,22H,1-2,4-5,7-8H2,3H3,(H,16,21)(H,23,24)/t11-,12?,13+,15-,26?/m1/s1
InChIKeyDJAZHWSNXQCYGO-FDGCTYEWSA-N
XLogP-1.18
TPSA159.79 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.33
LogP ≤ 5-1.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[(2R,4S,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2-methylidene-4-oxopyrimidin-1-yl]oxolan-2-yl]ethyl-[(hydroxy-methyl-methylidene-λ5-phosphanyl)methyl]phosphinic 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

5-[(E)-but-1-enyl]-1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-2-methylidenepyrimidin-4-one
CID 90275943
1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylidenepyrimidin-4-one
CID 159440392
[[3,4-dihydroxy-5-(5-methyl-2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 118476610
[(2R,3S,4R)-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 90224439
[(3S,4R,5R)-3,4-dihydroxy-5-(5-iodo-2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate;[(3S,4R,5R)-3,4-dihydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate;methane
CID 161374486
2-(4-amino-5-iodo-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol
CID 158348128
[[(2R,4S,5R)-3,4-dihydroxy-5-(2-methylidene-4-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,4S,5S)-4-(dimethylamino)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
CID 88956585
(2R,3R,4S,5R)-2-[4-amino-5-[[tert-butyl(dimethyl)silyl]methyl]-2-methylidenepyrimidin-1-yl]-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol
CID 159452334
1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-methyl-1,3,5-triazin-5-ium-2,4-dione
CID 160875388
1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-ethenyl-2-methylidenepyrimidin-4-one;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-[(E)-3-oxobut-1-enyl]pyrimidine-2,4-dione;1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(propylaminomethyl)pyrimidine-2,4-dione;bis(1-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-(propylaminomethyl)-2-sulfanylidenepyrimidin-4-one)
CID 158595221
(2R,3R,4S)-2-(4-amino-5-methoxy-2-methylidenepyrimidin-1-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol
CID 90275991
1-[(2R,3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-5-methyl-2-sulfanylidenepyrimidin-4-one
CID 90180791

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4S,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2-methylidene-4-oxopyrimidin-1-yl]oxolan-2-yl]ethyl-[(hydroxy-methyl-methylidene-λ5-phosphanyl)methyl]phosphinic acid?
The IUPAC name of 2-[(2R,4S,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2-methylidene-4-oxopyrimidin-1-yl]oxolan-2-yl]ethyl-[(hydroxy-methyl-methylidene-λ5-phosphanyl)methyl]phosphinic acid (CID 122488477) is 2-[(2R,4S,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2-methylidene-4-oxopyrimidin-1-yl]oxolan-2-yl]ethyl-[(hydroxy-methyl-methylidene-λ5-phosphanyl)methyl]phosphinic acid.
What is the SMILES notation for 2-[(2R,4S,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2-methylidene-4-oxopyrimidin-1-yl]oxolan-2-yl]ethyl-[(hydroxy-methyl-methylidene-λ5-phosphanyl)methyl]phosphinic acid?
The canonical SMILES for 2-[(2R,4S,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2-methylidene-4-oxopyrimidin-1-yl]oxolan-2-yl]ethyl-[(hydroxy-methyl-methylidene-λ5-phosphanyl)methyl]phosphinic acid is C=C1NC(=O)C(CO)=CN1[C@@H]1O[C@H](CCP(=O)(O)CP(=C)(C)O)C(O)[C@@H]1O.
What is the InChIKey of 2-[(2R,4S,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2-methylidene-4-oxopyrimidin-1-yl]oxolan-2-yl]ethyl-[(hydroxy-methyl-methylidene-λ5-phosphanyl)methyl]phosphinic acid?
The InChIKey is DJAZHWSNXQCYGO-FDGCTYEWSA-N. The full InChI is InChI=1S/C15H26N2O8P2/c1-9-16-14(21)10(7-18)6-17(9)15-13(20)12(19)11(25-15)4-5-27(23,24)8-26(2,3)22/h6,11-13,15,18-20,22H,1-2,4-5,7-8H2,3H3,(H,16,21)(H,23,24)/t11-,12?,13+,15-,26?/m1/s1.
What are the key properties of 2-[(2R,4S,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2-methylidene-4-oxopyrimidin-1-yl]oxolan-2-yl]ethyl-[(hydroxy-methyl-methylidene-λ5-phosphanyl)methyl]phosphinic acid?
2-[(2R,4S,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2-methylidene-4-oxopyrimidin-1-yl]oxolan-2-yl]ethyl-[(hydroxy-methyl-methylidene-λ5-phosphanyl)methyl]phosphinic acid has a molecular weight of 424.33 g/mol, XLogP of -1.18, 7 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4S,5R)-3,4-dihydroxy-5-[5-(hydroxymethyl)-2-methylidene-4-oxopyrimidin-1-yl]oxolan-2-yl]ethyl-[(hydroxy-methyl-methylidene-λ5-phosphanyl)methyl]phosphinic acid is sourced from PubChem (CID 122488477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).