(5S,6S)-5-aminooxy-6-methyloxan-2-ol

C6H13NO3 — CID 68868608

IUPAC(5S,6S)-5-aminooxy-6-methyloxan-2-ol
SMILESC[C@@H]1OC(O)CC[C@@H]1ON
InChIInChI=1S/C6H13NO3/c1-4-5(10-7)2-3-6(8)9-4/h4-6,8H,2-3,7H2,1H3/t4-,5-,6?/m0/s1
InChIKeyWHHZFSLXSBGFIK-HVYQYDHPSA-N
MW147.17 g/mol
LogP-0.24
Rot. Bonds1

About (5S,6S)-5-aminooxy-6-methyloxan-2-ol

(5S,6S)-5-aminooxy-6-methyloxan-2-ol (PubChem CID 68868608) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (5S,6S)-5-aminooxy-6-methyloxan-2-ol.

Molecular Properties

Compound Name(5S,6S)-5-aminooxy-6-methyloxan-2-ol
PubChem CID68868608
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(5S,6S)-5-aminooxy-6-methyloxan-2-ol
SMILESC[C@@H]1OC(O)CC[C@@H]1ON
InChIInChI=1S/C6H13NO3/c1-4-5(10-7)2-3-6(8)9-4/h4-6,8H,2-3,7H2,1H3/t4-,5-,6?/m0/s1
InChIKeyWHHZFSLXSBGFIK-HVYQYDHPSA-N
XLogP-0.24
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.24
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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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-5-aminooxy-6-methyloxan-2-ol?
The IUPAC name of (5S,6S)-5-aminooxy-6-methyloxan-2-ol (CID 68868608) is (5S,6S)-5-aminooxy-6-methyloxan-2-ol.
What is the SMILES notation for (5S,6S)-5-aminooxy-6-methyloxan-2-ol?
The canonical SMILES for (5S,6S)-5-aminooxy-6-methyloxan-2-ol is C[C@@H]1OC(O)CC[C@@H]1ON.
What is the InChIKey of (5S,6S)-5-aminooxy-6-methyloxan-2-ol?
The InChIKey is WHHZFSLXSBGFIK-HVYQYDHPSA-N. The full InChI is InChI=1S/C6H13NO3/c1-4-5(10-7)2-3-6(8)9-4/h4-6,8H,2-3,7H2,1H3/t4-,5-,6?/m0/s1.
What are the key properties of (5S,6S)-5-aminooxy-6-methyloxan-2-ol?
(5S,6S)-5-aminooxy-6-methyloxan-2-ol has a molecular weight of 147.17 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-5-aminooxy-6-methyloxan-2-ol is sourced from PubChem (CID 68868608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).