(NE)-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]hydroxylamine

C34H35NO6 — CID 14428686

About (NE)-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]hydroxylamine

(NE)-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]hydroxylamine (PubChem CID 14428686) has the molecular formula C34H35NO6 and a molecular weight of 553.66 g/mol. Its IUPAC name is (NE)-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]hydroxylamine.

Molecular Properties

• Compound Name: (NE)-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]hydroxylamine
• PubChem CID: 14428686
• Molecular Formula: C34H35NO6
• Molecular Weight: 553.66 g/mol
• Exact Mass: 553.25
• IUPAC Name: (NE)-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]hydroxylamine
• SMILES: O/N=C1/O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
• InChI: InChI=1S/C34H35NO6/c36-35-34-33(40-24-29-19-11-4-12-20-29)32(39-23-28-17-9-3-10-18-28)31(38-22-27-15-7-2-8-16-27)30(41-34)25-37-21-26-13-5-1-6-14-26/h1-20,30-33,36H,21-25H2/b35-34+/t30-,31-,32+,33-/m1/s1
• InChIKey: KLVJGAXJHJGAMD-OAOWYFBMSA-N
• XLogP: 6.15
• TPSA: 78.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.66
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]hydroxylamine?

The IUPAC name of (NE)-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]hydroxylamine (CID 14428686) is (NE)-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]hydroxylamine.

What is the SMILES notation for (NE)-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]hydroxylamine?

The canonical SMILES for (NE)-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]hydroxylamine is O/N=C1/O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.

What is the InChIKey of (NE)-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]hydroxylamine?

The InChIKey is KLVJGAXJHJGAMD-OAOWYFBMSA-N. The full InChI is InChI=1S/C34H35NO6/c36-35-34-33(40-24-29-19-11-4-12-20-29)32(39-23-28-17-9-3-10-18-28)31(38-22-27-15-7-2-8-16-27)30(41-34)25-37-21-26-13-5-1-6-14-26/h1-20,30-33,36H,21-25H2/b35-34+/t30-,31-,32+,33-/m1/s1.

What are the key properties of (NE)-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]hydroxylamine?

(NE)-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]hydroxylamine has a molecular weight of 553.66 g/mol, XLogP of 6.15, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (NE)-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ylidene]hydroxylamine is sourced from PubChem (CID 14428686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).