[(2R,4S)-4-nitrosooxan-2-yl]methanol

C6H11NO3 — CID 129103650

IUPAC[(2R,4S)-4-nitrosooxan-2-yl]methanol
SMILESO=N[C@H]1CCO[C@@H](CO)C1
InChIInChI=1S/C6H11NO3/c8-4-6-3-5(7-9)1-2-10-6/h5-6,8H,1-4H2/t5-,6+/m0/s1
InChIKeyRJENBJMNVYBBNM-NTSWFWBYSA-N
MW145.16 g/mol
LogP0.29
Rot. Bonds2

About [(2R,4S)-4-nitrosooxan-2-yl]methanol

[(2R,4S)-4-nitrosooxan-2-yl]methanol (PubChem CID 129103650) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is [(2R,4S)-4-nitrosooxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,4S)-4-nitrosooxan-2-yl]methanol
PubChem CID129103650
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name[(2R,4S)-4-nitrosooxan-2-yl]methanol
SMILESO=N[C@H]1CCO[C@@H](CO)C1
InChIInChI=1S/C6H11NO3/c8-4-6-3-5(7-9)1-2-10-6/h5-6,8H,1-4H2/t5-,6+/m0/s1
InChIKeyRJENBJMNVYBBNM-NTSWFWBYSA-N
XLogP0.29
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R,4S)-4-nitrosooxan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,4S)-4-aminooxan-2-yl]methanol
CID 121305944
[(2S)-4-cyclopropyloxan-2-yl]methanol
CID 142062147
[(2R,4S)-4-aminooxan-2-yl]methanol;hydrochloride
CID 170902129
[(2S,4R)-4-aminooxyoxan-2-yl]methanol
CID 122447871
7-(hydroxymethyl)oxepan-4-ol
CID 123972683
carbonochloridic acid;oxolan-2-ylmethanol
CID 161118728
4-(hydroxymethyl)-1,3-dioxane-2-carbaldehyde
CID 174323449
ethane;[(2S)-oxan-2-yl]methanol;hydrate
CID 168916263
(3R,5S)-5-(hydroxymethyl)oxolan-3-ol
CID 5289103
hydron;oxolan-2-ylmethanol
CID 174439667
[(2S)-oxan-2-yl]methanol
CID 6950811
oxolan-2-ylmethanol;hydrochloride
CID 155166529

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-nitrosooxan-2-yl]methanol?
The IUPAC name of [(2R,4S)-4-nitrosooxan-2-yl]methanol (CID 129103650) is [(2R,4S)-4-nitrosooxan-2-yl]methanol.
What is the SMILES notation for [(2R,4S)-4-nitrosooxan-2-yl]methanol?
The canonical SMILES for [(2R,4S)-4-nitrosooxan-2-yl]methanol is O=N[C@H]1CCO[C@@H](CO)C1.
What is the InChIKey of [(2R,4S)-4-nitrosooxan-2-yl]methanol?
The InChIKey is RJENBJMNVYBBNM-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H11NO3/c8-4-6-3-5(7-9)1-2-10-6/h5-6,8H,1-4H2/t5-,6+/m0/s1.
What are the key properties of [(2R,4S)-4-nitrosooxan-2-yl]methanol?
[(2R,4S)-4-nitrosooxan-2-yl]methanol has a molecular weight of 145.16 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-nitrosooxan-2-yl]methanol is sourced from PubChem (CID 129103650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).