(3R,4S,5S,6R)-6-(2-iodoethyl)oxane-2,3,4,5-tetrol

C7H13IO5 — CID 138718214

IUPAC(3R,4S,5S,6R)-6-(2-iodoethyl)oxane-2,3,4,5-tetrol
SMILESOC1O[C@H](CCI)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H13IO5/c8-2-1-3-4(9)5(10)6(11)7(12)13-3/h3-7,9-12H,1-2H2/t3-,4-,5+,6-,7?/m1/s1
InChIKeyQEVGPSWAHWITPI-WLDMJGECSA-N
MW304.08 g/mol
LogP-1.39
Rot. Bonds2

About (3R,4S,5S,6R)-6-(2-iodoethyl)oxane-2,3,4,5-tetrol

(3R,4S,5S,6R)-6-(2-iodoethyl)oxane-2,3,4,5-tetrol (PubChem CID 138718214) has the molecular formula C7H13IO5 and a molecular weight of 304.08 g/mol. Its IUPAC name is (3R,4S,5S,6R)-6-(2-iodoethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3R,4S,5S,6R)-6-(2-iodoethyl)oxane-2,3,4,5-tetrol
PubChem CID138718214
Molecular FormulaC7H13IO5
Molecular Weight304.08 g/mol
Exact Mass303.98
IUPAC Name(3R,4S,5S,6R)-6-(2-iodoethyl)oxane-2,3,4,5-tetrol
SMILESOC1O[C@H](CCI)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C7H13IO5/c8-2-1-3-4(9)5(10)6(11)7(12)13-3/h3-7,9-12H,1-2H2/t3-,4-,5+,6-,7?/m1/s1
InChIKeyQEVGPSWAHWITPI-WLDMJGECSA-N
XLogP-1.39
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.08
LogP ≤ 5-1.39
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

(6S)-6-(iodomethyl)oxane-2,3,4,5-tetrol
CID 59974134
actinium;(6S)-6-(iodomethyl)oxane-2,3,4,5-tetrol
CID 59974133
(2S,3R,4S,5S,6R)-6-(2-hydroxyethyl)oxane-2,3,4,5-tetrol
CID 90256488
(3R,4R,5S,6S)-6-(2-hydroxyethyl)oxane-2,3,4,5-tetrol
CID 101100889
2-[(3S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]ethylphosphinous acid
CID 167491115
6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxane-2,3,4,5-tetrol
CID 85179577
(3R,4S,5R)-5-(2-hydroxyethyl)oxolane-2,3,4-triol
CID 11829769
(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
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R)-6-(2-iodoethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (3R,4S,5S,6R)-6-(2-iodoethyl)oxane-2,3,4,5-tetrol (CID 138718214) is (3R,4S,5S,6R)-6-(2-iodoethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (3R,4S,5S,6R)-6-(2-iodoethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (3R,4S,5S,6R)-6-(2-iodoethyl)oxane-2,3,4,5-tetrol is OC1O[C@H](CCI)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (3R,4S,5S,6R)-6-(2-iodoethyl)oxane-2,3,4,5-tetrol?
The InChIKey is QEVGPSWAHWITPI-WLDMJGECSA-N. The full InChI is InChI=1S/C7H13IO5/c8-2-1-3-4(9)5(10)6(11)7(12)13-3/h3-7,9-12H,1-2H2/t3-,4-,5+,6-,7?/m1/s1.
What are the key properties of (3R,4S,5S,6R)-6-(2-iodoethyl)oxane-2,3,4,5-tetrol?
(3R,4S,5S,6R)-6-(2-iodoethyl)oxane-2,3,4,5-tetrol has a molecular weight of 304.08 g/mol, XLogP of -1.39, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6R)-6-(2-iodoethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 138718214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).