(3S,6R)-5-hydroxyiodanuidyl-2-(hydroxymethyl)-6-(methoxymethyl)oxane-3,4-diol

C8H16IO6- — CID 163662270

IUPAC(3S,6R)-5-hydroxyiodanuidyl-2-(hydroxymethyl)-6-(methoxymethyl)oxane-3,4-diol
SMILESCOC[C@H]1OC(CO)[C@@H](O)C(O)C1[I-]O
InChIInChI=1S/C8H16IO6/c1-14-3-5-6(9-13)8(12)7(11)4(2-10)15-5/h4-8,10-13H,2-3H2,1H3/q-1/t4?,5-,6?,7-,8?/m1/s1
InChIKeyAVPZABMXROFNIH-PJAFSVDPSA-N
MW335.11 g/mol
LogP-5.52
Rot. Bonds4

About (3S,6R)-5-hydroxyiodanuidyl-2-(hydroxymethyl)-6-(methoxymethyl)oxane-3,4-diol

(3S,6R)-5-hydroxyiodanuidyl-2-(hydroxymethyl)-6-(methoxymethyl)oxane-3,4-diol (PubChem CID 163662270) has the molecular formula C8H16IO6- and a molecular weight of 335.11 g/mol. Its IUPAC name is (3S,6R)-5-hydroxyiodanuidyl-2-(hydroxymethyl)-6-(methoxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(3S,6R)-5-hydroxyiodanuidyl-2-(hydroxymethyl)-6-(methoxymethyl)oxane-3,4-diol
PubChem CID163662270
Molecular FormulaC8H16IO6-
Molecular Weight335.11 g/mol
Exact Mass335.00
IUPAC Name(3S,6R)-5-hydroxyiodanuidyl-2-(hydroxymethyl)-6-(methoxymethyl)oxane-3,4-diol
SMILESCOC[C@H]1OC(CO)[C@@H](O)C(O)C1[I-]O
InChIInChI=1S/C8H16IO6/c1-14-3-5-6(9-13)8(12)7(11)4(2-10)15-5/h4-8,10-13H,2-3H2,1H3/q-1/t4?,5-,6?,7-,8?/m1/s1
InChIKeyAVPZABMXROFNIH-PJAFSVDPSA-N
XLogP-5.52
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.11
LogP ≤ 5-5.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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)-2-(hydroxymethyl)-6-(methoxymethyl)-4-methyloxane-3,5-diol
CID 90293180
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(2S,4R,5S)-2-[[(2S,4R,5S)-2-[[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(methoxymethyl)oxan-3-yl]methoxymethyl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]methoxymethyl]-6-(hydroxymethyl)-5-(methoxymethyl)oxane-3,4-diol
CID 90899019
(2S,4R,5S)-2-[[(2S,4R,5S)-2-[[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(methoxymethyl)oxan-3-yl]methoxymethyl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]methoxymethyl]-6-(hydroxymethyl)-5-(methoxymethyl)oxane-3,4-diol;(2S,4R,5S)-2-[[(3S,4R,6S)-6-[[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(methoxymethyl)oxan-3-yl]methoxymethyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-6-(hydroxymethyl)-5-(methoxymethyl)oxane-3,4-diol
CID 161244122
(2S,3S,4S,5S,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol
CID 26176683
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,4S,5S)-2-(chloromethyl)-5-(methoxymethyl)oxolane-3,4-diol
CID 131010758
(2S,4S,6R)-5-amino-2-(hydroxymethyl)-3,6-bis(methoxymethyl)oxan-4-ol
CID 59707793
(3R,4R,6S)-2-(hydroxymethyl)-6-[(3S,4S,6S)-4,5,6-trihydroxy-2-(methoxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
CID 140557407

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-5-hydroxyiodanuidyl-2-(hydroxymethyl)-6-(methoxymethyl)oxane-3,4-diol?
The IUPAC name of (3S,6R)-5-hydroxyiodanuidyl-2-(hydroxymethyl)-6-(methoxymethyl)oxane-3,4-diol (CID 163662270) is (3S,6R)-5-hydroxyiodanuidyl-2-(hydroxymethyl)-6-(methoxymethyl)oxane-3,4-diol.
What is the SMILES notation for (3S,6R)-5-hydroxyiodanuidyl-2-(hydroxymethyl)-6-(methoxymethyl)oxane-3,4-diol?
The canonical SMILES for (3S,6R)-5-hydroxyiodanuidyl-2-(hydroxymethyl)-6-(methoxymethyl)oxane-3,4-diol is COC[C@H]1OC(CO)[C@@H](O)C(O)C1[I-]O.
What is the InChIKey of (3S,6R)-5-hydroxyiodanuidyl-2-(hydroxymethyl)-6-(methoxymethyl)oxane-3,4-diol?
The InChIKey is AVPZABMXROFNIH-PJAFSVDPSA-N. The full InChI is InChI=1S/C8H16IO6/c1-14-3-5-6(9-13)8(12)7(11)4(2-10)15-5/h4-8,10-13H,2-3H2,1H3/q-1/t4?,5-,6?,7-,8?/m1/s1.
What are the key properties of (3S,6R)-5-hydroxyiodanuidyl-2-(hydroxymethyl)-6-(methoxymethyl)oxane-3,4-diol?
(3S,6R)-5-hydroxyiodanuidyl-2-(hydroxymethyl)-6-(methoxymethyl)oxane-3,4-diol has a molecular weight of 335.11 g/mol, XLogP of -5.52, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-5-hydroxyiodanuidyl-2-(hydroxymethyl)-6-(methoxymethyl)oxane-3,4-diol is sourced from PubChem (CID 163662270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).