2-(hydroxymethyl)-4-iodo-6-methoxyoxane-3,5-diol

C7H13IO5 — CID 73203933

IUPAC2-(hydroxymethyl)-4-iodo-6-methoxyoxane-3,5-diol
SMILESCOC1OC(CO)C(O)C(I)C1O
InChIInChI=1S/C7H13IO5/c1-12-7-6(11)4(8)5(10)3(2-9)13-7/h3-7,9-11H,2H2,1H3
InChIKeyLJZUDDPNHAAYQN-UHFFFAOYSA-N
MW304.08 g/mol
LogP-1.12
Rot. Bonds2

About 2-(hydroxymethyl)-4-iodo-6-methoxyoxane-3,5-diol

2-(hydroxymethyl)-4-iodo-6-methoxyoxane-3,5-diol (PubChem CID 73203933) has the molecular formula C7H13IO5 and a molecular weight of 304.08 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-iodo-6-methoxyoxane-3,5-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-iodo-6-methoxyoxane-3,5-diol
PubChem CID73203933
Molecular FormulaC7H13IO5
Molecular Weight304.08 g/mol
Exact Mass303.98
IUPAC Name2-(hydroxymethyl)-4-iodo-6-methoxyoxane-3,5-diol
SMILESCOC1OC(CO)C(O)C(I)C1O
InChIInChI=1S/C7H13IO5/c1-12-7-6(11)4(8)5(10)3(2-9)13-7/h3-7,9-11H,2H2,1H3
InChIKeyLJZUDDPNHAAYQN-UHFFFAOYSA-N
XLogP-1.12
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
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

(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546
(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759
(2S,3S,4R,5R,6S,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 90760723
(2R,3R,4S,5R,6R)-2-(hydroxy(113C)methyl)-6-methoxy(2,3-13C2)oxane-3,4,5-triol
CID 101247773
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 160867169
(3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 132769952
(6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89221036
(2R,3S,4R,5S,6R,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 101497446
(2R,3R,4R,5S)-4-amino-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
CID 57309160

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-iodo-6-methoxyoxane-3,5-diol?
The IUPAC name of 2-(hydroxymethyl)-4-iodo-6-methoxyoxane-3,5-diol (CID 73203933) is 2-(hydroxymethyl)-4-iodo-6-methoxyoxane-3,5-diol.
What is the SMILES notation for 2-(hydroxymethyl)-4-iodo-6-methoxyoxane-3,5-diol?
The canonical SMILES for 2-(hydroxymethyl)-4-iodo-6-methoxyoxane-3,5-diol is COC1OC(CO)C(O)C(I)C1O.
What is the InChIKey of 2-(hydroxymethyl)-4-iodo-6-methoxyoxane-3,5-diol?
The InChIKey is LJZUDDPNHAAYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13IO5/c1-12-7-6(11)4(8)5(10)3(2-9)13-7/h3-7,9-11H,2H2,1H3.
What are the key properties of 2-(hydroxymethyl)-4-iodo-6-methoxyoxane-3,5-diol?
2-(hydroxymethyl)-4-iodo-6-methoxyoxane-3,5-diol has a molecular weight of 304.08 g/mol, XLogP of -1.12, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-iodo-6-methoxyoxane-3,5-diol is sourced from PubChem (CID 73203933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).