(1R)-1-[(2S,4S,5S)-4-hydroxy-5-iodo-3-methoxyoxolan-2-yl]ethane-1,2-diol

C7H13IO5 — CID 147399555

IUPAC(1R)-1-[(2S,4S,5S)-4-hydroxy-5-iodo-3-methoxyoxolan-2-yl]ethane-1,2-diol
SMILESCOC1[C@H]([C@H](O)CO)O[C@@H](I)[C@H]1O
InChIInChI=1S/C7H13IO5/c1-12-6-4(11)7(8)13-5(6)3(10)2-9/h3-7,9-11H,2H2,1H3/t3-,4+,5+,6?,7-/m1/s1
InChIKeyDOMBYKBQUPCJIQ-RYQSKDSCSA-N
MW304.08 g/mol
LogP-1.12
Rot. Bonds3

About (1R)-1-[(2S,4S,5S)-4-hydroxy-5-iodo-3-methoxyoxolan-2-yl]ethane-1,2-diol

(1R)-1-[(2S,4S,5S)-4-hydroxy-5-iodo-3-methoxyoxolan-2-yl]ethane-1,2-diol (PubChem CID 147399555) has the molecular formula C7H13IO5 and a molecular weight of 304.08 g/mol. Its IUPAC name is (1R)-1-[(2S,4S,5S)-4-hydroxy-5-iodo-3-methoxyoxolan-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(2S,4S,5S)-4-hydroxy-5-iodo-3-methoxyoxolan-2-yl]ethane-1,2-diol
PubChem CID147399555
Molecular FormulaC7H13IO5
Molecular Weight304.08 g/mol
Exact Mass303.98
IUPAC Name(1R)-1-[(2S,4S,5S)-4-hydroxy-5-iodo-3-methoxyoxolan-2-yl]ethane-1,2-diol
SMILESCOC1[C@H]([C@H](O)CO)O[C@@H](I)[C@H]1O
InChIInChI=1S/C7H13IO5/c1-12-6-4(11)7(8)13-5(6)3(10)2-9/h3-7,9-11H,2H2,1H3/t3-,4+,5+,6?,7-/m1/s1
InChIKeyDOMBYKBQUPCJIQ-RYQSKDSCSA-N
XLogP-1.12
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
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,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-methoxyoxolane-2,3-diol
CID 100962082
(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-methoxyoxolane-2,3-diol
CID 102594814
(2S,3R,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-methoxyoxolane-2,4-diol
CID 102594810
(2R,3S,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methoxyoxolane-3,4-diol
CID 130444434
(1S)-1-[(2R,3S,4R,5S)-5-ethoxy-3-hydroxy-4-methoxyoxolan-2-yl]ethane-1,2-diol
CID 70617572
(2R,3S,4S,5R)-2-[(1R)-1,2-dihydroxyethyl]-6-methoxyoxane-3,4,5-triol
CID 18664777
1-[(2R)-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol
CID 89270965
1-[(2R,3S,5R)-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol
CID 89365371
(1R)-1-[(2S,3R,4S,5R)-4-amino-3-hydroxy-5-methoxyoxolan-2-yl]ethane-1,2-diol
CID 122228900
(2S,4S,5S)-2-[(2S,4S,5S)-2-[(2S,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dimethyloxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 157278759
(2R,3R,5S)-2-[(1S)-1,2-dihydroxyethyl]-5-methyloxolane-3,4-diol
CID 161397245
(2S,3R,4R,5R)-2-[(1R)-1,2-dihydroxyethyl]-5-methyloxolane-3,4-diol
CID 118332800

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,4S,5S)-4-hydroxy-5-iodo-3-methoxyoxolan-2-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(2S,4S,5S)-4-hydroxy-5-iodo-3-methoxyoxolan-2-yl]ethane-1,2-diol (CID 147399555) is (1R)-1-[(2S,4S,5S)-4-hydroxy-5-iodo-3-methoxyoxolan-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(2S,4S,5S)-4-hydroxy-5-iodo-3-methoxyoxolan-2-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(2S,4S,5S)-4-hydroxy-5-iodo-3-methoxyoxolan-2-yl]ethane-1,2-diol is COC1[C@H]([C@H](O)CO)O[C@@H](I)[C@H]1O.
What is the InChIKey of (1R)-1-[(2S,4S,5S)-4-hydroxy-5-iodo-3-methoxyoxolan-2-yl]ethane-1,2-diol?
The InChIKey is DOMBYKBQUPCJIQ-RYQSKDSCSA-N. The full InChI is InChI=1S/C7H13IO5/c1-12-6-4(11)7(8)13-5(6)3(10)2-9/h3-7,9-11H,2H2,1H3/t3-,4+,5+,6?,7-/m1/s1.
What are the key properties of (1R)-1-[(2S,4S,5S)-4-hydroxy-5-iodo-3-methoxyoxolan-2-yl]ethane-1,2-diol?
(1R)-1-[(2S,4S,5S)-4-hydroxy-5-iodo-3-methoxyoxolan-2-yl]ethane-1,2-diol has a molecular weight of 304.08 g/mol, XLogP of -1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,4S,5S)-4-hydroxy-5-iodo-3-methoxyoxolan-2-yl]ethane-1,2-diol is sourced from PubChem (CID 147399555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).