(2R,3S,4S)-2-(hydroxymethyl)-5-iodo-3,4-dihydro-2H-pyran-3,4-diol

C6H9IO4 — CID 155943828

IUPAC(2R,3S,4S)-2-(hydroxymethyl)-5-iodo-3,4-dihydro-2H-pyran-3,4-diol
SMILESOC[C@H]1OC=C(I)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H9IO4/c7-3-2-11-4(1-8)6(10)5(3)9/h2,4-6,8-10H,1H2/t4-,5-,6-/m1/s1
InChIKeyKFXRSUGIRMUELU-HSUXUTPPSA-N
MW272.04 g/mol
LogP-0.62
Rot. Bonds1

About (2R,3S,4S)-2-(hydroxymethyl)-5-iodo-3,4-dihydro-2H-pyran-3,4-diol

(2R,3S,4S)-2-(hydroxymethyl)-5-iodo-3,4-dihydro-2H-pyran-3,4-diol (PubChem CID 155943828) has the molecular formula C6H9IO4 and a molecular weight of 272.04 g/mol. Its IUPAC name is (2R,3S,4S)-2-(hydroxymethyl)-5-iodo-3,4-dihydro-2H-pyran-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S)-2-(hydroxymethyl)-5-iodo-3,4-dihydro-2H-pyran-3,4-diol
PubChem CID155943828
Molecular FormulaC6H9IO4
Molecular Weight272.04 g/mol
Exact Mass271.95
IUPAC Name(2R,3S,4S)-2-(hydroxymethyl)-5-iodo-3,4-dihydro-2H-pyran-3,4-diol
SMILESOC[C@H]1OC=C(I)[C@@H](O)[C@@H]1O
InChIInChI=1S/C6H9IO4/c7-3-2-11-4(1-8)6(10)5(3)9/h2,4-6,8-10H,1H2/t4-,5-,6-/m1/s1
InChIKeyKFXRSUGIRMUELU-HSUXUTPPSA-N
XLogP-0.62
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.04
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-(hydroxymethyl)-5-iodo-3,4-dihydro-2H-pyran-3,4-diol?
The IUPAC name of (2R,3S,4S)-2-(hydroxymethyl)-5-iodo-3,4-dihydro-2H-pyran-3,4-diol (CID 155943828) is (2R,3S,4S)-2-(hydroxymethyl)-5-iodo-3,4-dihydro-2H-pyran-3,4-diol.
What is the SMILES notation for (2R,3S,4S)-2-(hydroxymethyl)-5-iodo-3,4-dihydro-2H-pyran-3,4-diol?
The canonical SMILES for (2R,3S,4S)-2-(hydroxymethyl)-5-iodo-3,4-dihydro-2H-pyran-3,4-diol is OC[C@H]1OC=C(I)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S)-2-(hydroxymethyl)-5-iodo-3,4-dihydro-2H-pyran-3,4-diol?
The InChIKey is KFXRSUGIRMUELU-HSUXUTPPSA-N. The full InChI is InChI=1S/C6H9IO4/c7-3-2-11-4(1-8)6(10)5(3)9/h2,4-6,8-10H,1H2/t4-,5-,6-/m1/s1.
What are the key properties of (2R,3S,4S)-2-(hydroxymethyl)-5-iodo-3,4-dihydro-2H-pyran-3,4-diol?
(2R,3S,4S)-2-(hydroxymethyl)-5-iodo-3,4-dihydro-2H-pyran-3,4-diol has a molecular weight of 272.04 g/mol, XLogP of -0.62, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-(hydroxymethyl)-5-iodo-3,4-dihydro-2H-pyran-3,4-diol is sourced from PubChem (CID 155943828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).