(2R,3R,4S,5R)-2-(hydroxymethyl)-5-iodooxane-3,4,5-triol

C6H11IO5 — CID 91589098

IUPAC(2R,3R,4S,5R)-2-(hydroxymethyl)-5-iodooxane-3,4,5-triol
SMILESOC[C@H]1OC[C@@](O)(I)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H11IO5/c7-6(11)2-12-3(1-8)4(9)5(6)10/h3-5,8-11H,1-2H2/t3-,4+,5+,6+/m1/s1
InChIKeyHWQLGVVJUBEJGR-VANKVMQKSA-N
MW290.05 g/mol
LogP-1.78
Rot. Bonds1

About (2R,3R,4S,5R)-2-(hydroxymethyl)-5-iodooxane-3,4,5-triol

(2R,3R,4S,5R)-2-(hydroxymethyl)-5-iodooxane-3,4,5-triol (PubChem CID 91589098) has the molecular formula C6H11IO5 and a molecular weight of 290.05 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(hydroxymethyl)-5-iodooxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-(hydroxymethyl)-5-iodooxane-3,4,5-triol
PubChem CID91589098
Molecular FormulaC6H11IO5
Molecular Weight290.05 g/mol
Exact Mass289.97
IUPAC Name(2R,3R,4S,5R)-2-(hydroxymethyl)-5-iodooxane-3,4,5-triol
SMILESOC[C@H]1OC[C@@](O)(I)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H11IO5/c7-6(11)2-12-3(1-8)4(9)5(6)10/h3-5,8-11H,1-2H2/t3-,4+,5+,6+/m1/s1
InChIKeyHWQLGVVJUBEJGR-VANKVMQKSA-N
XLogP-1.78
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.05
LogP ≤ 5-1.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4R,5S)-6-(hydroxymethyl)oxane-3,3,4,5-tetrol
CID 59927511
(2R,3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol
CID 91038054
(3R,4R)-2-(hydroxymethyl)-4-methyloxolane-3,4-diol
CID 91418847
(2R,3S,4S,5S)-2-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol
CID 175303610
methyl (3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-3-carboxylate
CID 91074786
N-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 54288562
4-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol
CID 91145820
N-[(3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 69476720
1-[(3S,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanone
CID 18650344
(2R,3R)-4-chloro-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 150843883
(2S,3S,4S,5S,6R)-6-(aminomethyl)-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxane-2,3,4,5-tetrol
CID 57018621
(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]-2-(hydroxymethyl)oxolane-3,4-diol
CID 56997357

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(hydroxymethyl)-5-iodooxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R)-2-(hydroxymethyl)-5-iodooxane-3,4,5-triol (CID 91589098) is (2R,3R,4S,5R)-2-(hydroxymethyl)-5-iodooxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R)-2-(hydroxymethyl)-5-iodooxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R)-2-(hydroxymethyl)-5-iodooxane-3,4,5-triol is OC[C@H]1OC[C@@](O)(I)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-(hydroxymethyl)-5-iodooxane-3,4,5-triol?
The InChIKey is HWQLGVVJUBEJGR-VANKVMQKSA-N. The full InChI is InChI=1S/C6H11IO5/c7-6(11)2-12-3(1-8)4(9)5(6)10/h3-5,8-11H,1-2H2/t3-,4+,5+,6+/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-(hydroxymethyl)-5-iodooxane-3,4,5-triol?
(2R,3R,4S,5R)-2-(hydroxymethyl)-5-iodooxane-3,4,5-triol has a molecular weight of 290.05 g/mol, XLogP of -1.78, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-(hydroxymethyl)-5-iodooxane-3,4,5-triol is sourced from PubChem (CID 91589098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).