[(2R,5R)-5-(4-fluoro-6-methylbenzimidazol-1-yl)-2-(methoxymethyl)oxolan-3-yl]oxy-methylphosphinic acid

C15H20FN2O5P — CID 58427805

IUPAC[(2R,5R)-5-(4-fluoro-6-methylbenzimidazol-1-yl)-2-(methoxymethyl)oxolan-3-yl]oxy-methylphosphinic acid
SMILESCOC[C@H]1O[C@@H](n2cnc3c(F)cc(C)cc32)CC1OP(C)(=O)O
InChIInChI=1S/C15H20FN2O5P/c1-9-4-10(16)15-11(5-9)18(8-17-15)14-6-12(23-24(3,19)20)13(22-14)7-21-2/h4-5,8,12-14H,6-7H2,1-3H3,(H,19,20)/t12?,13-,14-/m1/s1
InChIKeyVNTTXSLDLHXLMT-ILMHWDKJSA-N
MW358.31 g/mol
LogP2.62
Rot. Bonds5

About [(2R,5R)-5-(4-fluoro-6-methylbenzimidazol-1-yl)-2-(methoxymethyl)oxolan-3-yl]oxy-methylphosphinic acid

[(2R,5R)-5-(4-fluoro-6-methylbenzimidazol-1-yl)-2-(methoxymethyl)oxolan-3-yl]oxy-methylphosphinic acid (PubChem CID 58427805) has the molecular formula C15H20FN2O5P and a molecular weight of 358.31 g/mol. Its IUPAC name is [(2R,5R)-5-(4-fluoro-6-methylbenzimidazol-1-yl)-2-(methoxymethyl)oxolan-3-yl]oxy-methylphosphinic acid.

Molecular Properties

Compound Name[(2R,5R)-5-(4-fluoro-6-methylbenzimidazol-1-yl)-2-(methoxymethyl)oxolan-3-yl]oxy-methylphosphinic acid
PubChem CID58427805
Molecular FormulaC15H20FN2O5P
Molecular Weight358.31 g/mol
Exact Mass358.11
IUPAC Name[(2R,5R)-5-(4-fluoro-6-methylbenzimidazol-1-yl)-2-(methoxymethyl)oxolan-3-yl]oxy-methylphosphinic acid
SMILESCOC[C@H]1O[C@@H](n2cnc3c(F)cc(C)cc32)CC1OP(C)(=O)O
InChIInChI=1S/C15H20FN2O5P/c1-9-4-10(16)15-11(5-9)18(8-17-15)14-6-12(23-24(3,19)20)13(22-14)7-21-2/h4-5,8,12-14H,6-7H2,1-3H3,(H,19,20)/t12?,13-,14-/m1/s1
InChIKeyVNTTXSLDLHXLMT-ILMHWDKJSA-N
XLogP2.62
TPSA82.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2R,5R)-2-(methoxymethyl)-5-(4-methylbenzimidazol-1-yl)oxolan-3-yl]oxy-methylphosphinic acid
CID 58427794
[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(methoxymethyl)oxolan-3-yl]oxy-methylphosphinic acid
CID 136630273
[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(methoxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 137104151
[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(methoxymethyl)oxolan-3-yl] methyl hydrogen phosphate
CID 135990398
[2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-methylphosphinic acid
CID 21029752
[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(methoxymethyl)oxolan-3-yl] methyl phosphate
CID 135990397
1-[2-(methoxymethyl)-1,3-dioxolan-4-yl]-4,6-dimethylbenzimidazole
CID 58521325
[(2R,5R)-2-[[hydroxy(methoxy)phosphoryl]oxymethyl]-5-[6-(prop-2-enylamino)purin-9-yl]oxolan-3-yl] methyl hydrogen phosphate
CID 59991695
[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methoxymethyl)oxolan-3-yl]oxy-methylphosphinic acid
CID 155792881
[(2R,3R,5R)-5-(6-chloropurin-9-yl)-2-(methoxymethyl)oxolan-3-yl] acetate
CID 91374069
[(2R,5R)-5-[5-[(E)-3-(2-aminoethylamino)-3-oxoprop-1-enyl]-2,4-dioxopyrimidin-1-yl]-2-(methoxymethyl)oxolan-3-yl]oxy-methylphosphinic acid
CID 88946939
9-[4-[hydroxy(methoxy)phosphinothioyl]oxy-5-[[hydroxy(methoxy)phosphinothioyl]oxymethyl]oxolan-2-yl]purin-6-amine
CID 89240282

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-(4-fluoro-6-methylbenzimidazol-1-yl)-2-(methoxymethyl)oxolan-3-yl]oxy-methylphosphinic acid?
The IUPAC name of [(2R,5R)-5-(4-fluoro-6-methylbenzimidazol-1-yl)-2-(methoxymethyl)oxolan-3-yl]oxy-methylphosphinic acid (CID 58427805) is [(2R,5R)-5-(4-fluoro-6-methylbenzimidazol-1-yl)-2-(methoxymethyl)oxolan-3-yl]oxy-methylphosphinic acid.
What is the SMILES notation for [(2R,5R)-5-(4-fluoro-6-methylbenzimidazol-1-yl)-2-(methoxymethyl)oxolan-3-yl]oxy-methylphosphinic acid?
The canonical SMILES for [(2R,5R)-5-(4-fluoro-6-methylbenzimidazol-1-yl)-2-(methoxymethyl)oxolan-3-yl]oxy-methylphosphinic acid is COC[C@H]1O[C@@H](n2cnc3c(F)cc(C)cc32)CC1OP(C)(=O)O.
What is the InChIKey of [(2R,5R)-5-(4-fluoro-6-methylbenzimidazol-1-yl)-2-(methoxymethyl)oxolan-3-yl]oxy-methylphosphinic acid?
The InChIKey is VNTTXSLDLHXLMT-ILMHWDKJSA-N. The full InChI is InChI=1S/C15H20FN2O5P/c1-9-4-10(16)15-11(5-9)18(8-17-15)14-6-12(23-24(3,19)20)13(22-14)7-21-2/h4-5,8,12-14H,6-7H2,1-3H3,(H,19,20)/t12?,13-,14-/m1/s1.
What are the key properties of [(2R,5R)-5-(4-fluoro-6-methylbenzimidazol-1-yl)-2-(methoxymethyl)oxolan-3-yl]oxy-methylphosphinic acid?
[(2R,5R)-5-(4-fluoro-6-methylbenzimidazol-1-yl)-2-(methoxymethyl)oxolan-3-yl]oxy-methylphosphinic acid has a molecular weight of 358.31 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-(4-fluoro-6-methylbenzimidazol-1-yl)-2-(methoxymethyl)oxolan-3-yl]oxy-methylphosphinic acid is sourced from PubChem (CID 58427805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).