O-[(2S,4S,6S)-4-methoxy-5,6-dimethyloxan-2-yl]hydroxylamine

C8H17NO3 — CID 163868735

IUPACO-[(2S,4S,6S)-4-methoxy-5,6-dimethyloxan-2-yl]hydroxylamine
SMILESCO[C@H]1C[C@H](ON)O[C@@H](C)C1C
InChIInChI=1S/C8H17NO3/c1-5-6(2)11-8(12-9)4-7(5)10-3/h5-8H,4,9H2,1-3H3/t5?,6-,7-,8-/m0/s1
InChIKeyPIXYHYXJVJIOTR-DWQAGKKUSA-N
MW175.23 g/mol
LogP0.66
Rot. Bonds2

About O-[(2S,4S,6S)-4-methoxy-5,6-dimethyloxan-2-yl]hydroxylamine

O-[(2S,4S,6S)-4-methoxy-5,6-dimethyloxan-2-yl]hydroxylamine (PubChem CID 163868735) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is O-[(2S,4S,6S)-4-methoxy-5,6-dimethyloxan-2-yl]hydroxylamine.

Molecular Properties

Compound NameO-[(2S,4S,6S)-4-methoxy-5,6-dimethyloxan-2-yl]hydroxylamine
PubChem CID163868735
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC NameO-[(2S,4S,6S)-4-methoxy-5,6-dimethyloxan-2-yl]hydroxylamine
SMILESCO[C@H]1C[C@H](ON)O[C@@H](C)C1C
InChIInChI=1S/C8H17NO3/c1-5-6(2)11-8(12-9)4-7(5)10-3/h5-8H,4,9H2,1-3H3/t5?,6-,7-,8-/m0/s1
InChIKeyPIXYHYXJVJIOTR-DWQAGKKUSA-N
XLogP0.66
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze O-[(2S,4S,6S)-4-methoxy-5,6-dimethyloxan-2-yl]hydroxylamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of O-[(2S,4S,6S)-4-methoxy-5,6-dimethyloxan-2-yl]hydroxylamine?
The IUPAC name of O-[(2S,4S,6S)-4-methoxy-5,6-dimethyloxan-2-yl]hydroxylamine (CID 163868735) is O-[(2S,4S,6S)-4-methoxy-5,6-dimethyloxan-2-yl]hydroxylamine.
What is the SMILES notation for O-[(2S,4S,6S)-4-methoxy-5,6-dimethyloxan-2-yl]hydroxylamine?
The canonical SMILES for O-[(2S,4S,6S)-4-methoxy-5,6-dimethyloxan-2-yl]hydroxylamine is CO[C@H]1C[C@H](ON)O[C@@H](C)C1C.
What is the InChIKey of O-[(2S,4S,6S)-4-methoxy-5,6-dimethyloxan-2-yl]hydroxylamine?
The InChIKey is PIXYHYXJVJIOTR-DWQAGKKUSA-N. The full InChI is InChI=1S/C8H17NO3/c1-5-6(2)11-8(12-9)4-7(5)10-3/h5-8H,4,9H2,1-3H3/t5?,6-,7-,8-/m0/s1.
What are the key properties of O-[(2S,4S,6S)-4-methoxy-5,6-dimethyloxan-2-yl]hydroxylamine?
O-[(2S,4S,6S)-4-methoxy-5,6-dimethyloxan-2-yl]hydroxylamine has a molecular weight of 175.23 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(2S,4S,6S)-4-methoxy-5,6-dimethyloxan-2-yl]hydroxylamine is sourced from PubChem (CID 163868735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).