(3S,6R)-2-(aminooxymethyl)-6-[(2R,4S)-5-(aminooxymethyl)-3,4-dihydroxyoxolan-2-yl]oxyoxane-3,4,5-triol

C11H22N2O10 — CID 163807819

About (3S,6R)-2-(aminooxymethyl)-6-[(2R,4S)-5-(aminooxymethyl)-3,4-dihydroxyoxolan-2-yl]oxyoxane-3,4,5-triol

(3S,6R)-2-(aminooxymethyl)-6-[(2R,4S)-5-(aminooxymethyl)-3,4-dihydroxyoxolan-2-yl]oxyoxane-3,4,5-triol (PubChem CID 163807819) has the molecular formula C11H22N2O10 and a molecular weight of 342.30 g/mol. Its IUPAC name is (3S,6R)-2-(aminooxymethyl)-6-[(2R,4S)-5-(aminooxymethyl)-3,4-dihydroxyoxolan-2-yl]oxyoxane-3,4,5-triol.

Molecular Properties

• Compound Name: (3S,6R)-2-(aminooxymethyl)-6-[(2R,4S)-5-(aminooxymethyl)-3,4-dihydroxyoxolan-2-yl]oxyoxane-3,4,5-triol
• PubChem CID: 163807819
• Molecular Formula: C11H22N2O10
• Molecular Weight: 342.30 g/mol
• Exact Mass: 342.13
• IUPAC Name: (3S,6R)-2-(aminooxymethyl)-6-[(2R,4S)-5-(aminooxymethyl)-3,4-dihydroxyoxolan-2-yl]oxyoxane-3,4,5-triol
• SMILES: NOCC1O[C@H](O[C@H]2OC(CON)[C@@H](O)C2O)C(O)C(O)[C@@H]1O
• InChI: InChI=1S/C11H22N2O10/c12-19-1-3-5(14)7(16)9(18)11(21-3)23-10-8(17)6(15)4(22-10)2-20-13/h3-11,14-18H,1-2,12-13H2/t3?,4?,5-,6-,7?,8?,9?,10-,11-/m1/s1
• InChIKey: NKORZLPQQNVPKD-QKSGRXHYSA-N
• XLogP: -4.96
• TPSA: 199.34 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	342.30
LogP ≤ 5	-4.96
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-2-(aminooxymethyl)-6-[(2R,4S)-5-(aminooxymethyl)-3,4-dihydroxyoxolan-2-yl]oxyoxane-3,4,5-triol?

The IUPAC name of (3S,6R)-2-(aminooxymethyl)-6-[(2R,4S)-5-(aminooxymethyl)-3,4-dihydroxyoxolan-2-yl]oxyoxane-3,4,5-triol (CID 163807819) is (3S,6R)-2-(aminooxymethyl)-6-[(2R,4S)-5-(aminooxymethyl)-3,4-dihydroxyoxolan-2-yl]oxyoxane-3,4,5-triol.

What is the SMILES notation for (3S,6R)-2-(aminooxymethyl)-6-[(2R,4S)-5-(aminooxymethyl)-3,4-dihydroxyoxolan-2-yl]oxyoxane-3,4,5-triol?

The canonical SMILES for (3S,6R)-2-(aminooxymethyl)-6-[(2R,4S)-5-(aminooxymethyl)-3,4-dihydroxyoxolan-2-yl]oxyoxane-3,4,5-triol is NOCC1O[C@H](O[C@H]2OC(CON)[C@@H](O)C2O)C(O)C(O)[C@@H]1O.

What is the InChIKey of (3S,6R)-2-(aminooxymethyl)-6-[(2R,4S)-5-(aminooxymethyl)-3,4-dihydroxyoxolan-2-yl]oxyoxane-3,4,5-triol?

The InChIKey is NKORZLPQQNVPKD-QKSGRXHYSA-N. The full InChI is InChI=1S/C11H22N2O10/c12-19-1-3-5(14)7(16)9(18)11(21-3)23-10-8(17)6(15)4(22-10)2-20-13/h3-11,14-18H,1-2,12-13H2/t3?,4?,5-,6-,7?,8?,9?,10-,11-/m1/s1.

What are the key properties of (3S,6R)-2-(aminooxymethyl)-6-[(2R,4S)-5-(aminooxymethyl)-3,4-dihydroxyoxolan-2-yl]oxyoxane-3,4,5-triol?

(3S,6R)-2-(aminooxymethyl)-6-[(2R,4S)-5-(aminooxymethyl)-3,4-dihydroxyoxolan-2-yl]oxyoxane-3,4,5-triol has a molecular weight of 342.30 g/mol, XLogP of -4.96, 6 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,6R)-2-(aminooxymethyl)-6-[(2R,4S)-5-(aminooxymethyl)-3,4-dihydroxyoxolan-2-yl]oxyoxane-3,4,5-triol is sourced from PubChem (CID 163807819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).