(2S,3R,4R)-2-(hydroxymethyl)-5-iodooxolane-3,4-diol

C5H9IO4 — CID 150341486

IUPAC(2S,3R,4R)-2-(hydroxymethyl)-5-iodooxolane-3,4-diol
SMILESOC[C@@H]1OC(I)[C@H](O)[C@H]1O
InChIInChI=1S/C5H9IO4/c6-5-4(9)3(8)2(1-7)10-5/h2-5,7-9H,1H2/t2-,3-,4+,5?/m0/s1
InChIKeyGRUKJJJSNRHWKR-HWQSCIPKSA-N
MW260.03 g/mol
LogP-1.14
Rot. Bonds1

About (2S,3R,4R)-2-(hydroxymethyl)-5-iodooxolane-3,4-diol

(2S,3R,4R)-2-(hydroxymethyl)-5-iodooxolane-3,4-diol (PubChem CID 150341486) has the molecular formula C5H9IO4 and a molecular weight of 260.03 g/mol. Its IUPAC name is (2S,3R,4R)-2-(hydroxymethyl)-5-iodooxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R)-2-(hydroxymethyl)-5-iodooxolane-3,4-diol
PubChem CID150341486
Molecular FormulaC5H9IO4
Molecular Weight260.03 g/mol
Exact Mass259.95
IUPAC Name(2S,3R,4R)-2-(hydroxymethyl)-5-iodooxolane-3,4-diol
SMILESOC[C@@H]1OC(I)[C@H](O)[C@H]1O
InChIInChI=1S/C5H9IO4/c6-5-4(9)3(8)2(1-7)10-5/h2-5,7-9H,1H2/t2-,3-,4+,5?/m0/s1
InChIKeyGRUKJJJSNRHWKR-HWQSCIPKSA-N
XLogP-1.14
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.03
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
(3S,4S,5R)-6-(hydroxymethyl)-3-iodooxane-2,4,5-triol
CID 89290988
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-2-(hydroxymethyl)-5-iodooxolane-3,4-diol?
The IUPAC name of (2S,3R,4R)-2-(hydroxymethyl)-5-iodooxolane-3,4-diol (CID 150341486) is (2S,3R,4R)-2-(hydroxymethyl)-5-iodooxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4R)-2-(hydroxymethyl)-5-iodooxolane-3,4-diol?
The canonical SMILES for (2S,3R,4R)-2-(hydroxymethyl)-5-iodooxolane-3,4-diol is OC[C@@H]1OC(I)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R)-2-(hydroxymethyl)-5-iodooxolane-3,4-diol?
The InChIKey is GRUKJJJSNRHWKR-HWQSCIPKSA-N. The full InChI is InChI=1S/C5H9IO4/c6-5-4(9)3(8)2(1-7)10-5/h2-5,7-9H,1H2/t2-,3-,4+,5?/m0/s1.
What are the key properties of (2S,3R,4R)-2-(hydroxymethyl)-5-iodooxolane-3,4-diol?
(2S,3R,4R)-2-(hydroxymethyl)-5-iodooxolane-3,4-diol has a molecular weight of 260.03 g/mol, XLogP of -1.14, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-2-(hydroxymethyl)-5-iodooxolane-3,4-diol is sourced from PubChem (CID 150341486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).