(2R,3S)-1-iodobutane-2,3-diol

C4H9IO2 — CID 134856288

IUPAC(2R,3S)-1-iodobutane-2,3-diol
SMILESC[C@H](O)[C@@H](O)CI
InChIInChI=1S/C4H9IO2/c1-3(6)4(7)2-5/h3-4,6-7H,2H2,1H3/t3-,4-/m0/s1
InChIKeyDBRFDXRGHGBFCJ-IMJSIDKUSA-N
MW216.02 g/mol
LogP0.16
Rot. Bonds2

About (2R,3S)-1-iodobutane-2,3-diol

(2R,3S)-1-iodobutane-2,3-diol (PubChem CID 134856288) has the molecular formula C4H9IO2 and a molecular weight of 216.02 g/mol. Its IUPAC name is (2R,3S)-1-iodobutane-2,3-diol.

Molecular Properties

Compound Name(2R,3S)-1-iodobutane-2,3-diol
PubChem CID134856288
Molecular FormulaC4H9IO2
Molecular Weight216.02 g/mol
Exact Mass215.96
IUPAC Name(2R,3S)-1-iodobutane-2,3-diol
SMILESC[C@H](O)[C@@H](O)CI
InChIInChI=1S/C4H9IO2/c1-3(6)4(7)2-5/h3-4,6-7H,2H2,1H3/t3-,4-/m0/s1
InChIKeyDBRFDXRGHGBFCJ-IMJSIDKUSA-N
XLogP0.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.02
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,6-diiodohexane-2,3,4,5-tetrol
CID 27282
(2R,3R)-butane-1,2,3-triol
CID 6398419
6-methylheptane-2,3-diol
CID 57080591
hexane-2,3-diol
CID 159913798
(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol
CID 161487042
1-iodo-2-methylpropane;hydrofluoride
CID 174557152
1,4-diiodo-2,3-dimethylbutane
CID 21200721
5-(3,4-dihydroxypentoxy)pentane-2,3-diol
CID 90771075
(2R)-4-iodobutan-2-ol
CID 13089080
gold;platinum;pentakis(propan-2-ol)
CID 171063749
1-(3-hydroxybutan-2-yloxy)butane-2,3-diol
CID 174717239
butane-2,3-diol;propan-2-ol
CID 88653918

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-iodobutane-2,3-diol?
The IUPAC name of (2R,3S)-1-iodobutane-2,3-diol (CID 134856288) is (2R,3S)-1-iodobutane-2,3-diol.
What is the SMILES notation for (2R,3S)-1-iodobutane-2,3-diol?
The canonical SMILES for (2R,3S)-1-iodobutane-2,3-diol is C[C@H](O)[C@@H](O)CI.
What is the InChIKey of (2R,3S)-1-iodobutane-2,3-diol?
The InChIKey is DBRFDXRGHGBFCJ-IMJSIDKUSA-N. The full InChI is InChI=1S/C4H9IO2/c1-3(6)4(7)2-5/h3-4,6-7H,2H2,1H3/t3-,4-/m0/s1.
What are the key properties of (2R,3S)-1-iodobutane-2,3-diol?
(2R,3S)-1-iodobutane-2,3-diol has a molecular weight of 216.02 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-iodobutane-2,3-diol is sourced from PubChem (CID 134856288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).