(2R,3S,4R)-2-(ethoxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol

C14H15Cl3N2O4 — CID 46876959

IUPAC(2R,3S,4R)-2-(ethoxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol
SMILESCCOC[C@H]1OC(n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H15Cl3N2O4/c1-2-22-5-10-11(20)12(21)13(23-10)19-9-4-7(16)6(15)3-8(9)18-14(19)17/h3-4,10-13,20-21H,2,5H2,1H3/t10-,11-,12-,13?/m1/s1
InChIKeyJVAXPPZEBXHMED-PFGBXZAXSA-N
MW381.64 g/mol
LogP2.65
Rot. Bonds4

About (2R,3S,4R)-2-(ethoxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol

(2R,3S,4R)-2-(ethoxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol (PubChem CID 46876959) has the molecular formula C14H15Cl3N2O4 and a molecular weight of 381.64 g/mol. Its IUPAC name is (2R,3S,4R)-2-(ethoxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-2-(ethoxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol
PubChem CID46876959
Molecular FormulaC14H15Cl3N2O4
Molecular Weight381.64 g/mol
Exact Mass380.01
IUPAC Name(2R,3S,4R)-2-(ethoxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol
SMILESCCOC[C@H]1OC(n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H15Cl3N2O4/c1-2-22-5-10-11(20)12(21)13(23-10)19-9-4-7(16)6(15)3-8(9)18-14(19)17/h3-4,10-13,20-21H,2,5H2,1H3/t10-,11-,12-,13?/m1/s1
InChIKeyJVAXPPZEBXHMED-PFGBXZAXSA-N
XLogP2.65
TPSA76.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.64
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2-(ethoxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R)-2-(ethoxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol (CID 46876959) is (2R,3S,4R)-2-(ethoxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R)-2-(ethoxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R)-2-(ethoxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol is CCOC[C@H]1OC(n2c(Cl)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R)-2-(ethoxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol?
The InChIKey is JVAXPPZEBXHMED-PFGBXZAXSA-N. The full InChI is InChI=1S/C14H15Cl3N2O4/c1-2-22-5-10-11(20)12(21)13(23-10)19-9-4-7(16)6(15)3-8(9)18-14(19)17/h3-4,10-13,20-21H,2,5H2,1H3/t10-,11-,12-,13?/m1/s1.
What are the key properties of (2R,3S,4R)-2-(ethoxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol?
(2R,3S,4R)-2-(ethoxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol has a molecular weight of 381.64 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-(ethoxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol is sourced from PubChem (CID 46876959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).