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

C6H10O3 — CID 134890521

IUPAC(1S,2S,3S,5R)-2-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol
SMILESOC[C@@H]1[C@@H]2O[C@@H]2C[C@@H]1O
InChIInChI=1S/C6H10O3/c7-2-3-4(8)1-5-6(3)9-5/h3-8H,1-2H2/t3-,4-,5+,6-/m0/s1
InChIKeyVAKWQVQXOMMHSG-AZGQCCRYSA-N
MW130.14 g/mol
LogP-0.87
Rot. Bonds1

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

(1S,2S,3S,5R)-2-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol (PubChem CID 134890521) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is (1S,2S,3S,5R)-2-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol.

Molecular Properties

Compound Name(1S,2S,3S,5R)-2-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol
PubChem CID134890521
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name(1S,2S,3S,5R)-2-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol
SMILESOC[C@@H]1[C@@H]2O[C@@H]2C[C@@H]1O
InChIInChI=1S/C6H10O3/c7-2-3-4(8)1-5-6(3)9-5/h3-8H,1-2H2/t3-,4-,5+,6-/m0/s1
InChIKeyVAKWQVQXOMMHSG-AZGQCCRYSA-N
XLogP-0.87
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,5R)-2-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol?
The IUPAC name of (1S,2S,3S,5R)-2-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol (CID 134890521) is (1S,2S,3S,5R)-2-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol.
What is the SMILES notation for (1S,2S,3S,5R)-2-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol?
The canonical SMILES for (1S,2S,3S,5R)-2-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol is OC[C@@H]1[C@@H]2O[C@@H]2C[C@@H]1O.
What is the InChIKey of (1S,2S,3S,5R)-2-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol?
The InChIKey is VAKWQVQXOMMHSG-AZGQCCRYSA-N. The full InChI is InChI=1S/C6H10O3/c7-2-3-4(8)1-5-6(3)9-5/h3-8H,1-2H2/t3-,4-,5+,6-/m0/s1.
What are the key properties of (1S,2S,3S,5R)-2-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol?
(1S,2S,3S,5R)-2-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol has a molecular weight of 130.14 g/mol, XLogP of -0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,5R)-2-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-3-ol is sourced from PubChem (CID 134890521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).