[(2R,3R,4R,5R)-4-[(2R,3S,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl hypoiodite

C12H21IO9 — CID 118002144

IUPAC[(2R,3R,4R,5R)-4-[(2R,3S,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl hypoiodite
SMILESOC[C@@H]1C[C@H](O)[C@H](O)[C@@H](O[C@H]2[C@H](O)[C@@H](COI)OC[C@H]2O)O1
InChIInChI=1S/C12H21IO9/c13-20-4-8-10(18)11(7(16)3-19-8)22-12-9(17)6(15)1-5(2-14)21-12/h5-12,14-18H,1-4H2/t5-,6-,7+,8+,9-,10+,11+,12+/m0/s1
InChIKeyRCEIMHGNZGDAOL-FRLDGKEYSA-N
MW436.20 g/mol
LogP-2.31
Rot. Bonds5

About [(2R,3R,4R,5R)-4-[(2R,3S,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl hypoiodite

[(2R,3R,4R,5R)-4-[(2R,3S,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl hypoiodite (PubChem CID 118002144) has the molecular formula C12H21IO9 and a molecular weight of 436.20 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-4-[(2R,3S,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl hypoiodite.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-4-[(2R,3S,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl hypoiodite
PubChem CID118002144
Molecular FormulaC12H21IO9
Molecular Weight436.20 g/mol
Exact Mass436.02
IUPAC Name[(2R,3R,4R,5R)-4-[(2R,3S,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl hypoiodite
SMILESOC[C@@H]1C[C@H](O)[C@H](O)[C@@H](O[C@H]2[C@H](O)[C@@H](COI)OC[C@H]2O)O1
InChIInChI=1S/C12H21IO9/c13-20-4-8-10(18)11(7(16)3-19-8)22-12-9(17)6(15)1-5(2-14)21-12/h5-12,14-18H,1-4H2/t5-,6-,7+,8+,9-,10+,11+,12+/m0/s1
InChIKeyRCEIMHGNZGDAOL-FRLDGKEYSA-N
XLogP-2.31
TPSA138.07 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.20
LogP ≤ 5-2.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4R,6R)-2-[(3R,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
CID 147119634
(2S,3R,4S,5R)-2-[(2S,3R,4S,5R)-2-[(2S,3S,4S,5S)-4-[(2S,3R,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-methyloxan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxyoxane-3,4,5-triol
CID 167111903
[(2R,3S,5R)-5-[(2R,3S,4R,6R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methanolate
CID 147119633
(2S,3S,4S,5S,6R)-5-[(2R,3S,4S,5S,6R)-5-[(2R,3S,4S,5S,6R)-5-[(2R,3S,4S,5S,6R)-5-[(2R,3S,4S,5S,6R)-5-[(2R,3S,4R,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 129120159
(2R,3R,4S)-2-[(2R,4S)-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
CID 167113171
(2S,3S,4S,6R)-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 93090180
(3R,4R,5S,6R)-5-[(3R,4R,5S,6R)-5-[(3R,4R,5S,6R)-5-[(3R,4R,5S,6R)-5-[(3R,4R,5S,6R)-5-[(3R,4R,5S,6R)-5-[(3R,4R,5S,6R)-5-[(3R,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol
CID 155298605
(2R,3S,4R,5R,6S)-3-amino-2-[(2S,3R,4R,5R)-5-amino-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[(2R,3S,4S,6R)-3-amino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxan-4-ol;(2S,3R,4S,5S,6R)-3-amino-2-[(2R,3S,4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[(2S,3R,4R,6S)-3-amino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxan-4-ol;tris(lanthanum(3+))
CID 139211987
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2S,3S,4R,5R)-2,3,5-trihydroxyoxan-4-yl]oxyoxane-3,4,5-triol
CID 93234247
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R)-2,3,5-trihydroxyoxan-4-yl]oxyoxane-3,4,5-triol
CID 91862423
(1R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxycyclohexane-1,3-diol
CID 143974221
(2S,3S,4S,5S,6R)-2-[(2R,3S,4S,6S)-4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 42631468

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-4-[(2R,3S,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl hypoiodite?
The IUPAC name of [(2R,3R,4R,5R)-4-[(2R,3S,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl hypoiodite (CID 118002144) is [(2R,3R,4R,5R)-4-[(2R,3S,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl hypoiodite.
What is the SMILES notation for [(2R,3R,4R,5R)-4-[(2R,3S,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl hypoiodite?
The canonical SMILES for [(2R,3R,4R,5R)-4-[(2R,3S,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl hypoiodite is OC[C@@H]1C[C@H](O)[C@H](O)[C@@H](O[C@H]2[C@H](O)[C@@H](COI)OC[C@H]2O)O1.
What is the InChIKey of [(2R,3R,4R,5R)-4-[(2R,3S,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl hypoiodite?
The InChIKey is RCEIMHGNZGDAOL-FRLDGKEYSA-N. The full InChI is InChI=1S/C12H21IO9/c13-20-4-8-10(18)11(7(16)3-19-8)22-12-9(17)6(15)1-5(2-14)21-12/h5-12,14-18H,1-4H2/t5-,6-,7+,8+,9-,10+,11+,12+/m0/s1.
What are the key properties of [(2R,3R,4R,5R)-4-[(2R,3S,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl hypoiodite?
[(2R,3R,4R,5R)-4-[(2R,3S,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl hypoiodite has a molecular weight of 436.20 g/mol, XLogP of -2.31, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-4-[(2R,3S,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl hypoiodite is sourced from PubChem (CID 118002144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).