(2R,3S,4R,5S,6S)-6-(iodomethyl)-5-methoxyoxane-2,3,4-triol

C7H13IO5 — CID 141014802

IUPAC(2R,3S,4R,5S,6S)-6-(iodomethyl)-5-methoxyoxane-2,3,4-triol
SMILESCO[C@H]1[C@H](O)[C@H](O)[C@H](O)O[C@@H]1CI
InChIInChI=1S/C7H13IO5/c1-12-6-3(2-8)13-7(11)5(10)4(6)9/h3-7,9-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1
InChIKeyUKGSJORKEHBLMM-XUUWZHRGSA-N
MW304.08 g/mol
LogP-1.12
Rot. Bonds2

About (2R,3S,4R,5S,6S)-6-(iodomethyl)-5-methoxyoxane-2,3,4-triol

(2R,3S,4R,5S,6S)-6-(iodomethyl)-5-methoxyoxane-2,3,4-triol (PubChem CID 141014802) has the molecular formula C7H13IO5 and a molecular weight of 304.08 g/mol. Its IUPAC name is (2R,3S,4R,5S,6S)-6-(iodomethyl)-5-methoxyoxane-2,3,4-triol.

Molecular Properties

Compound Name(2R,3S,4R,5S,6S)-6-(iodomethyl)-5-methoxyoxane-2,3,4-triol
PubChem CID141014802
Molecular FormulaC7H13IO5
Molecular Weight304.08 g/mol
Exact Mass303.98
IUPAC Name(2R,3S,4R,5S,6S)-6-(iodomethyl)-5-methoxyoxane-2,3,4-triol
SMILESCO[C@H]1[C@H](O)[C@H](O)[C@H](O)O[C@@H]1CI
InChIInChI=1S/C7H13IO5/c1-12-6-3(2-8)13-7(11)5(10)4(6)9/h3-7,9-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1
InChIKeyUKGSJORKEHBLMM-XUUWZHRGSA-N
XLogP-1.12
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.08
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
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

(2S,3S,4R,5R,6S,7S)-7-(hydroxymethyl)-6-methoxyoxepane-2,3,4,5-tetrol
CID 90798926
(2R,3S,4S,5R,6S)-5-methoxy-6-(methoxymethyl)oxane-2,3,4-triol
CID 125028190
(2R,3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol
CID 130976876
5-ethyl-4-methoxyoxolane-2,3-diol
CID 74429889
(6S)-6-(iodomethyl)oxane-2,3,4,5-tetrol
CID 59974134
(3R,4S,5R,6R)-5-methoxy-6-prop-2-enyloxane-2,3,4-triol
CID 162462298
actinium;(6S)-6-(iodomethyl)oxane-2,3,4,5-tetrol
CID 59974133
(2S,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)-4-methoxy(2,3,4,5,6-13C5)oxane-2,3,5-triol
CID 171713800
(3R,4S,5R,6R)-6-(hydroxy(113C)methyl)-4-methoxyoxane-2,3,5-triol
CID 90472763
(2R,3S,4R,5R,6S)-6-(hydroxymethyl)-3-methoxyoxane-2,4,5-triol
CID 67720038
(2R,3S,4R,5R,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
CID 97050066
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
CID 102594811

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S,6S)-6-(iodomethyl)-5-methoxyoxane-2,3,4-triol?
The IUPAC name of (2R,3S,4R,5S,6S)-6-(iodomethyl)-5-methoxyoxane-2,3,4-triol (CID 141014802) is (2R,3S,4R,5S,6S)-6-(iodomethyl)-5-methoxyoxane-2,3,4-triol.
What is the SMILES notation for (2R,3S,4R,5S,6S)-6-(iodomethyl)-5-methoxyoxane-2,3,4-triol?
The canonical SMILES for (2R,3S,4R,5S,6S)-6-(iodomethyl)-5-methoxyoxane-2,3,4-triol is CO[C@H]1[C@H](O)[C@H](O)[C@H](O)O[C@@H]1CI.
What is the InChIKey of (2R,3S,4R,5S,6S)-6-(iodomethyl)-5-methoxyoxane-2,3,4-triol?
The InChIKey is UKGSJORKEHBLMM-XUUWZHRGSA-N. The full InChI is InChI=1S/C7H13IO5/c1-12-6-3(2-8)13-7(11)5(10)4(6)9/h3-7,9-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1.
What are the key properties of (2R,3S,4R,5S,6S)-6-(iodomethyl)-5-methoxyoxane-2,3,4-triol?
(2R,3S,4R,5S,6S)-6-(iodomethyl)-5-methoxyoxane-2,3,4-triol has a molecular weight of 304.08 g/mol, XLogP of -1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S,6S)-6-(iodomethyl)-5-methoxyoxane-2,3,4-triol is sourced from PubChem (CID 141014802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).