(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,4,5-trichloroimidazol-1-yl)oxolane-3,4-diol

C8H9Cl3N2O4 — CID 3012552

IUPAC(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,4,5-trichloroimidazol-1-yl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2c(Cl)nc(Cl)c2Cl)[C@H](O)[C@H]1O
InChIInChI=1S/C8H9Cl3N2O4/c9-5-6(10)13(8(11)12-5)7-4(16)3(15)2(1-14)17-7/h2-4,7,14-16H,1H2/t2-,3+,4-,7-/m1/s1
InChIKeyMQAVFPKBUATAJX-PAMHENJLSA-N
MW303.53 g/mol
LogP0.45
Rot. Bonds2

About (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,4,5-trichloroimidazol-1-yl)oxolane-3,4-diol

(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,4,5-trichloroimidazol-1-yl)oxolane-3,4-diol (PubChem CID 3012552) has the molecular formula C8H9Cl3N2O4 and a molecular weight of 303.53 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,4,5-trichloroimidazol-1-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,4,5-trichloroimidazol-1-yl)oxolane-3,4-diol
PubChem CID3012552
Molecular FormulaC8H9Cl3N2O4
Molecular Weight303.53 g/mol
Exact Mass301.96
IUPAC Name(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,4,5-trichloroimidazol-1-yl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](n2c(Cl)nc(Cl)c2Cl)[C@H](O)[C@H]1O
InChIInChI=1S/C8H9Cl3N2O4/c9-5-6(10)13(8(11)12-5)7-4(16)3(15)2(1-14)17-7/h2-4,7,14-16H,1H2/t2-,3+,4-,7-/m1/s1
InChIKeyMQAVFPKBUATAJX-PAMHENJLSA-N
XLogP0.45
TPSA87.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.53
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4S,5R)-2-(4,5-dichloroimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 3012563
acetic acid;(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(2,5,6-trichlorobenzimidazol-1-yl)oxolane-3,4-diol
CID 21146654
actinium;(2R,3R,4S,5R)-2-(2,6-dichloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59060553
(3R,4S)-2-(4-chloro-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 89227848
(2R,3R,4S,5R)-2-(5-chloro-4-nitroimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 15137881
(2R,3R,4R,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 12810918
4,6-diamino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
CID 176652801
(2R,5R,6S)-2-(4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-7-(hydroxymethyl)oxepane-3,4,5,6-tetrol
CID 89335816
(3R,4S,5R)-2-(6,8-dimethylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59070010
(2S,3S,4R,5R)-2-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 93481352
(2S,3S,4S,5R)-2-(5,6-dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 3058094
(2R,3R,4S,5R)-2-(8-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 102318068

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,4,5-trichloroimidazol-1-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,4,5-trichloroimidazol-1-yl)oxolane-3,4-diol (CID 3012552) is (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,4,5-trichloroimidazol-1-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,4,5-trichloroimidazol-1-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,4,5-trichloroimidazol-1-yl)oxolane-3,4-diol is OC[C@H]1O[C@@H](n2c(Cl)nc(Cl)c2Cl)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,4,5-trichloroimidazol-1-yl)oxolane-3,4-diol?
The InChIKey is MQAVFPKBUATAJX-PAMHENJLSA-N. The full InChI is InChI=1S/C8H9Cl3N2O4/c9-5-6(10)13(8(11)12-5)7-4(16)3(15)2(1-14)17-7/h2-4,7,14-16H,1H2/t2-,3+,4-,7-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,4,5-trichloroimidazol-1-yl)oxolane-3,4-diol?
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,4,5-trichloroimidazol-1-yl)oxolane-3,4-diol has a molecular weight of 303.53 g/mol, XLogP of 0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2-(hydroxymethyl)-5-(2,4,5-trichloroimidazol-1-yl)oxolane-3,4-diol is sourced from PubChem (CID 3012552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).