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

C15H21N2O5P — CID 58427794

IUPAC[(2R,5R)-2-(methoxymethyl)-5-(4-methylbenzimidazol-1-yl)oxolan-3-yl]oxy-methylphosphinic acid
SMILESCOC[C@H]1O[C@@H](n2cnc3c(C)cccc32)CC1OP(C)(=O)O
InChIInChI=1S/C15H21N2O5P/c1-10-5-4-6-11-15(10)16-9-17(11)14-7-12(22-23(3,18)19)13(21-14)8-20-2/h4-6,9,12-14H,7-8H2,1-3H3,(H,18,19)/t12?,13-,14-/m1/s1
InChIKeyLVPDRKBBRJCDGE-ILMHWDKJSA-N
MW340.32 g/mol
LogP2.48
Rot. Bonds5

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

[(2R,5R)-2-(methoxymethyl)-5-(4-methylbenzimidazol-1-yl)oxolan-3-yl]oxy-methylphosphinic acid (PubChem CID 58427794) has the molecular formula C15H21N2O5P and a molecular weight of 340.32 g/mol. Its IUPAC name is [(2R,5R)-2-(methoxymethyl)-5-(4-methylbenzimidazol-1-yl)oxolan-3-yl]oxy-methylphosphinic acid.

Molecular Properties

Compound Name[(2R,5R)-2-(methoxymethyl)-5-(4-methylbenzimidazol-1-yl)oxolan-3-yl]oxy-methylphosphinic acid
PubChem CID58427794
Molecular FormulaC15H21N2O5P
Molecular Weight340.32 g/mol
Exact Mass340.12
IUPAC Name[(2R,5R)-2-(methoxymethyl)-5-(4-methylbenzimidazol-1-yl)oxolan-3-yl]oxy-methylphosphinic acid
SMILESCOC[C@H]1O[C@@H](n2cnc3c(C)cccc32)CC1OP(C)(=O)O
InChIInChI=1S/C15H21N2O5P/c1-10-5-4-6-11-15(10)16-9-17(11)14-7-12(22-23(3,18)19)13(21-14)8-20-2/h4-6,9,12-14H,7-8H2,1-3H3,(H,18,19)/t12?,13-,14-/m1/s1
InChIKeyLVPDRKBBRJCDGE-ILMHWDKJSA-N
XLogP2.48
TPSA82.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 52.48
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)-5-(4-fluoro-6-methylbenzimidazol-1-yl)-2-(methoxymethyl)oxolan-3-yl]oxy-methylphosphinic acid
CID 58427805
[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
[(2R,5R)-5-(6-aminopurin-9-yl)-2-[[hydroxy(propan-2-yl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-propan-2-ylphosphinic acid
CID 118053732
[(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-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-2-(methoxymethyl)oxolan-3-yl] methyl phosphate
CID 153458803
1-[(2R,5S)-5-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[methoxy(sulfanyl)phosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-methylideneoxolan-2-yl]benzotriazole-4-carboxamide
CID 154990484
2-amino-9-[(2R,4R,5R)-5-(dihydroxyphosphinothioyloxymethyl)-4-[hydroxy(methoxy)phosphinothioyl]oxyoxolan-2-yl]-1H-purin-6-one
CID 166508373
[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methoxymethyl)oxolan-3-yl]oxy-methylphosphinic acid
CID 155792881

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-2-(methoxymethyl)-5-(4-methylbenzimidazol-1-yl)oxolan-3-yl]oxy-methylphosphinic acid?
The IUPAC name of [(2R,5R)-2-(methoxymethyl)-5-(4-methylbenzimidazol-1-yl)oxolan-3-yl]oxy-methylphosphinic acid (CID 58427794) is [(2R,5R)-2-(methoxymethyl)-5-(4-methylbenzimidazol-1-yl)oxolan-3-yl]oxy-methylphosphinic acid.
What is the SMILES notation for [(2R,5R)-2-(methoxymethyl)-5-(4-methylbenzimidazol-1-yl)oxolan-3-yl]oxy-methylphosphinic acid?
The canonical SMILES for [(2R,5R)-2-(methoxymethyl)-5-(4-methylbenzimidazol-1-yl)oxolan-3-yl]oxy-methylphosphinic acid is COC[C@H]1O[C@@H](n2cnc3c(C)cccc32)CC1OP(C)(=O)O.
What is the InChIKey of [(2R,5R)-2-(methoxymethyl)-5-(4-methylbenzimidazol-1-yl)oxolan-3-yl]oxy-methylphosphinic acid?
The InChIKey is LVPDRKBBRJCDGE-ILMHWDKJSA-N. The full InChI is InChI=1S/C15H21N2O5P/c1-10-5-4-6-11-15(10)16-9-17(11)14-7-12(22-23(3,18)19)13(21-14)8-20-2/h4-6,9,12-14H,7-8H2,1-3H3,(H,18,19)/t12?,13-,14-/m1/s1.
What are the key properties of [(2R,5R)-2-(methoxymethyl)-5-(4-methylbenzimidazol-1-yl)oxolan-3-yl]oxy-methylphosphinic acid?
[(2R,5R)-2-(methoxymethyl)-5-(4-methylbenzimidazol-1-yl)oxolan-3-yl]oxy-methylphosphinic acid has a molecular weight of 340.32 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-2-(methoxymethyl)-5-(4-methylbenzimidazol-1-yl)oxolan-3-yl]oxy-methylphosphinic acid is sourced from PubChem (CID 58427794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).