(1R,2R,4R,5R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-ol

C5H8O4 — CID 141076482

IUPAC(1R,2R,4R,5R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-ol
SMILESOC[C@H]1O[C@@H](O)[C@@H]2O[C@@H]21
InChIInChI=1S/C5H8O4/c6-1-2-3-4(9-3)5(7)8-2/h2-7H,1H2/t2-,3-,4-,5-/m1/s1
InChIKeyOKNJQMFVESGAOO-TXICZTDVSA-N
MW132.11 g/mol
LogP-1.54
Rot. Bonds1

About (1R,2R,4R,5R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-ol

(1R,2R,4R,5R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-ol (PubChem CID 141076482) has the molecular formula C5H8O4 and a molecular weight of 132.11 g/mol. Its IUPAC name is (1R,2R,4R,5R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-ol.

Molecular Properties

Compound Name(1R,2R,4R,5R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-ol
PubChem CID141076482
Molecular FormulaC5H8O4
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name(1R,2R,4R,5R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-ol
SMILESOC[C@H]1O[C@@H](O)[C@@H]2O[C@@H]21
InChIInChI=1S/C5H8O4/c6-1-2-3-4(9-3)5(7)8-2/h2-7H,1H2/t2-,3-,4-,5-/m1/s1
InChIKeyOKNJQMFVESGAOO-TXICZTDVSA-N
XLogP-1.54
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1R,2R,4R,5R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-ol with MolForge

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Related Compounds

ethane;2-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptane-4,5-diol
CID 143692870
(2S)-4-(hydroxymethyl)oxetane-2,3-diol
CID 130341188
(1R,2S,4R,5R,6R)-4-(hydroxymethyl)-5-trimethylsilyloxy-3,7-dioxabicyclo[4.1.0]heptan-2-ol
CID 88596824
(2R,5S)-6-(hydroxymethyl)-1,4-dioxane-2,3,5-triol
CID 129307305
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
CID 135037064
CID 135037064
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R,5R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-ol?
The IUPAC name of (1R,2R,4R,5R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-ol (CID 141076482) is (1R,2R,4R,5R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for (1R,2R,4R,5R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for (1R,2R,4R,5R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-ol is OC[C@H]1O[C@@H](O)[C@@H]2O[C@@H]21.
What is the InChIKey of (1R,2R,4R,5R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-ol?
The InChIKey is OKNJQMFVESGAOO-TXICZTDVSA-N. The full InChI is InChI=1S/C5H8O4/c6-1-2-3-4(9-3)5(7)8-2/h2-7H,1H2/t2-,3-,4-,5-/m1/s1.
What are the key properties of (1R,2R,4R,5R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-ol?
(1R,2R,4R,5R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-ol has a molecular weight of 132.11 g/mol, XLogP of -1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R,5R)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 141076482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).