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

C6H13NO3 — CID 122447871

IUPAC[(2S,4R)-4-aminooxyoxan-2-yl]methanol
SMILESNO[C@@H]1CCO[C@H](CO)C1
InChIInChI=1S/C6H13NO3/c7-10-5-1-2-9-6(3-5)4-8/h5-6,8H,1-4,7H2/t5-,6+/m1/s1
InChIKeyRBXJXDZMBGOFBE-RITPCOANSA-N
MW147.17 g/mol
LogP-0.58
Rot. Bonds2

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

[(2S,4R)-4-aminooxyoxan-2-yl]methanol (PubChem CID 122447871) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is [(2S,4R)-4-aminooxyoxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-4-aminooxyoxan-2-yl]methanol
PubChem CID122447871
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name[(2S,4R)-4-aminooxyoxan-2-yl]methanol
SMILESNO[C@@H]1CCO[C@H](CO)C1
InChIInChI=1S/C6H13NO3/c7-10-5-1-2-9-6(3-5)4-8/h5-6,8H,1-4,7H2/t5-,6+/m1/s1
InChIKeyRBXJXDZMBGOFBE-RITPCOANSA-N
XLogP-0.58
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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
[(2R,4S)-4-nitrosooxan-2-yl]methanol
CID 129103650
7-(hydroxymethyl)oxepan-4-ol
CID 123972683
3-aminooxycyclopentan-1-ol
CID 105427097
(3R,5S)-5-(hydroxymethyl)oxolan-3-ol
CID 5289103
[(2S)-oxan-2-yl]methanol
CID 6950811
hydron;oxolan-2-ylmethanol
CID 174439667
oxolan-2-ylmethanol;hydrochloride
CID 155166529
(4-acetyloxyoxan-2-yl)methyl acetate;thiohypobromous acid
CID 167512910
calcium;hydride;oxolan-2-ylmethanol
CID 173198677

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-aminooxyoxan-2-yl]methanol?
The IUPAC name of [(2S,4R)-4-aminooxyoxan-2-yl]methanol (CID 122447871) is [(2S,4R)-4-aminooxyoxan-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-4-aminooxyoxan-2-yl]methanol?
The canonical SMILES for [(2S,4R)-4-aminooxyoxan-2-yl]methanol is NO[C@@H]1CCO[C@H](CO)C1.
What is the InChIKey of [(2S,4R)-4-aminooxyoxan-2-yl]methanol?
The InChIKey is RBXJXDZMBGOFBE-RITPCOANSA-N. The full InChI is InChI=1S/C6H13NO3/c7-10-5-1-2-9-6(3-5)4-8/h5-6,8H,1-4,7H2/t5-,6+/m1/s1.
What are the key properties of [(2S,4R)-4-aminooxyoxan-2-yl]methanol?
[(2S,4R)-4-aminooxyoxan-2-yl]methanol has a molecular weight of 147.17 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-aminooxyoxan-2-yl]methanol is sourced from PubChem (CID 122447871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).