(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2,3,5,6-tetrachloroindol-1-yl)oxolane-3,4-diol

C13H11Cl4NO4 — CID 3012581

IUPAC(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2,3,5,6-tetrachloroindol-1-yl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2c(Cl)c(Cl)c3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H11Cl4NO4/c14-5-1-4-7(2-6(5)15)18(12(17)9(4)16)13-11(21)10(20)8(3-19)22-13/h1-2,8,10-11,13,19-21H,3H2/t8-,10-,11-,13-/m1/s1
InChIKeyMGOAGVAGQMJWIE-UORFTKCHSA-N
MW387.05 g/mol
LogP2.87
Rot. Bonds2

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

(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2,3,5,6-tetrachloroindol-1-yl)oxolane-3,4-diol (PubChem CID 3012581) has the molecular formula C13H11Cl4NO4 and a molecular weight of 387.05 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2,3,5,6-tetrachloroindol-1-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2,3,5,6-tetrachloroindol-1-yl)oxolane-3,4-diol
PubChem CID3012581
Molecular FormulaC13H11Cl4NO4
Molecular Weight387.05 g/mol
Exact Mass384.94
IUPAC Name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2,3,5,6-tetrachloroindol-1-yl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2c(Cl)c(Cl)c3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C13H11Cl4NO4/c14-5-1-4-7(2-6(5)15)18(12(17)9(4)16)13-11(21)10(20)8(3-19)22-13/h1-2,8,10-11,13,19-21H,3H2/t8-,10-,11-,13-/m1/s1
InChIKeyMGOAGVAGQMJWIE-UORFTKCHSA-N
XLogP2.87
TPSA74.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.05
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2,3,5,6-tetrachloroindol-1-yl)oxolane-3,4-diol 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 (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2,3,5,6-tetrachloroindol-1-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2,3,5,6-tetrachloroindol-1-yl)oxolane-3,4-diol (CID 3012581) is (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2,3,5,6-tetrachloroindol-1-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2,3,5,6-tetrachloroindol-1-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2,3,5,6-tetrachloroindol-1-yl)oxolane-3,4-diol is OC[C@H]1O[C@@H](n2c(Cl)c(Cl)c3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2,3,5,6-tetrachloroindol-1-yl)oxolane-3,4-diol?
The InChIKey is MGOAGVAGQMJWIE-UORFTKCHSA-N. The full InChI is InChI=1S/C13H11Cl4NO4/c14-5-1-4-7(2-6(5)15)18(12(17)9(4)16)13-11(21)10(20)8(3-19)22-13/h1-2,8,10-11,13,19-21H,3H2/t8-,10-,11-,13-/m1/s1.
What are the key properties of (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2,3,5,6-tetrachloroindol-1-yl)oxolane-3,4-diol?
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2,3,5,6-tetrachloroindol-1-yl)oxolane-3,4-diol has a molecular weight of 387.05 g/mol, XLogP of 2.87, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2,3,5,6-tetrachloroindol-1-yl)oxolane-3,4-diol is sourced from PubChem (CID 3012581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).