[(2R,3S,4R,5R)-3,4,5-trihydroxy-1-oxohexan-2-yl] hypoiodite

C6H11IO5 — CID 87208483

IUPAC[(2R,3S,4R,5R)-3,4,5-trihydroxy-1-oxohexan-2-yl] hypoiodite
SMILESC[C@@H](O)[C@@H](O)[C@H](O)[C@H](C=O)OI
InChIInChI=1S/C6H11IO5/c1-3(9)5(10)6(11)4(2-8)12-7/h2-6,9-11H,1H3/t3-,4+,5-,6-/m1/s1
InChIKeyLLWDTVAHDMRGNS-JGWLITMVSA-N
MW290.05 g/mol
LogP-0.98
Rot. Bonds5

About [(2R,3S,4R,5R)-3,4,5-trihydroxy-1-oxohexan-2-yl] hypoiodite

[(2R,3S,4R,5R)-3,4,5-trihydroxy-1-oxohexan-2-yl] hypoiodite (PubChem CID 87208483) has the molecular formula C6H11IO5 and a molecular weight of 290.05 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-3,4,5-trihydroxy-1-oxohexan-2-yl] hypoiodite.

Molecular Properties

Compound Name[(2R,3S,4R,5R)-3,4,5-trihydroxy-1-oxohexan-2-yl] hypoiodite
PubChem CID87208483
Molecular FormulaC6H11IO5
Molecular Weight290.05 g/mol
Exact Mass289.97
IUPAC Name[(2R,3S,4R,5R)-3,4,5-trihydroxy-1-oxohexan-2-yl] hypoiodite
SMILESC[C@@H](O)[C@@H](O)[C@H](O)[C@H](C=O)OI
InChIInChI=1S/C6H11IO5/c1-3(9)5(10)6(11)4(2-8)12-7/h2-6,9-11H,1H3/t3-,4+,5-,6-/m1/s1
InChIKeyLLWDTVAHDMRGNS-JGWLITMVSA-N
XLogP-0.98
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.05
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2R,3S,4R,5R)-3,4,5-trihydroxy-1-oxohexan-2-yl] hypoiodite with MolForge

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Related Compounds

[(2R,3S,4R,5R)-3,4,5-trihydroxy-1-oxohexan-2-yl] dihydrogen phosphate
CID 87318834
[(2R,3S,4S,5R)-3,4,5-trihydroxy-1-oxohexan-2-yl] 2-methylprop-2-enoate
CID 87644418
(2R,3S,4S,5R)-2-(2,3-dihydroxypropoxy)-3,4,5-trihydroxyhexanal
CID 54375315
(2R)-2,3,4,5-tetrahydroxyhexanal
CID 71774580
(2R,3R,4S)-2,3,4,5-tetrahydroxyhexanal
CID 10855815
(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexanal
CID 6453351
(2S,3R,4R,5S)-2,3,4,5-tetrahydroxy(1,2,3,4,5,6-13C6)hexanal
CID 131953208
[(2R,3R,4R)-3,4-dihydroxy-1-oxopentan-2-yl] acetate
CID 141317796
(2S,3R,4S,5R)-2-amino-3,4,5-trihydroxyhexanal
CID 5460919
ethane;2,3,4,5-tetrahydroxyhexanal
CID 174774074
(2S,3R,4R)-2-amino-3,4,5-trihydroxyhexanal
CID 131227229
(2R,3S,4R,5R)-2,3-diaminooxy-4,5-dihydroxyhexanal
CID 87361841

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-3,4,5-trihydroxy-1-oxohexan-2-yl] hypoiodite?
The IUPAC name of [(2R,3S,4R,5R)-3,4,5-trihydroxy-1-oxohexan-2-yl] hypoiodite (CID 87208483) is [(2R,3S,4R,5R)-3,4,5-trihydroxy-1-oxohexan-2-yl] hypoiodite.
What is the SMILES notation for [(2R,3S,4R,5R)-3,4,5-trihydroxy-1-oxohexan-2-yl] hypoiodite?
The canonical SMILES for [(2R,3S,4R,5R)-3,4,5-trihydroxy-1-oxohexan-2-yl] hypoiodite is C[C@@H](O)[C@@H](O)[C@H](O)[C@H](C=O)OI.
What is the InChIKey of [(2R,3S,4R,5R)-3,4,5-trihydroxy-1-oxohexan-2-yl] hypoiodite?
The InChIKey is LLWDTVAHDMRGNS-JGWLITMVSA-N. The full InChI is InChI=1S/C6H11IO5/c1-3(9)5(10)6(11)4(2-8)12-7/h2-6,9-11H,1H3/t3-,4+,5-,6-/m1/s1.
What are the key properties of [(2R,3S,4R,5R)-3,4,5-trihydroxy-1-oxohexan-2-yl] hypoiodite?
[(2R,3S,4R,5R)-3,4,5-trihydroxy-1-oxohexan-2-yl] hypoiodite has a molecular weight of 290.05 g/mol, XLogP of -0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R)-3,4,5-trihydroxy-1-oxohexan-2-yl] hypoiodite is sourced from PubChem (CID 87208483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).