(NE)-N-[(2R,3R,4R,5R,6E)-6-hydroxyimino-2,3,4,5-tetrakis(phenylmethoxy)hexylidene]hydroxylamine

C34H36N2O6 — CID 10769350

IUPAC(NE)-N-[(2R,3R,4R,5R,6E)-6-hydroxyimino-2,3,4,5-tetrakis(phenylmethoxy)hexylidene]hydroxylamine
SMILESO/N=C/[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](/C=N/O)OCc1ccccc1
InChIInChI=1S/C34H36N2O6/c37-35-21-31(39-23-27-13-5-1-6-14-27)33(41-25-29-17-9-3-10-18-29)34(42-26-30-19-11-4-12-20-30)32(22-36-38)40-24-28-15-7-2-8-16-28/h1-22,31-34,37-38H,23-26H2/b35-21+,36-22+/t31-,32-,33-,34-/m1/s1
InChIKeyYCSDUUKBZJOZJD-ANDPOUFWSA-N
MW568.67 g/mol
LogP6.25
Rot. Bonds17

About (NE)-N-[(2R,3R,4R,5R,6E)-6-hydroxyimino-2,3,4,5-tetrakis(phenylmethoxy)hexylidene]hydroxylamine

(NE)-N-[(2R,3R,4R,5R,6E)-6-hydroxyimino-2,3,4,5-tetrakis(phenylmethoxy)hexylidene]hydroxylamine (PubChem CID 10769350) has the molecular formula C34H36N2O6 and a molecular weight of 568.67 g/mol. Its IUPAC name is (NE)-N-[(2R,3R,4R,5R,6E)-6-hydroxyimino-2,3,4,5-tetrakis(phenylmethoxy)hexylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2R,3R,4R,5R,6E)-6-hydroxyimino-2,3,4,5-tetrakis(phenylmethoxy)hexylidene]hydroxylamine
PubChem CID10769350
Molecular FormulaC34H36N2O6
Molecular Weight568.67 g/mol
Exact Mass568.26
IUPAC Name(NE)-N-[(2R,3R,4R,5R,6E)-6-hydroxyimino-2,3,4,5-tetrakis(phenylmethoxy)hexylidene]hydroxylamine
SMILESO/N=C/[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](/C=N/O)OCc1ccccc1
InChIInChI=1S/C34H36N2O6/c37-35-21-31(39-23-27-13-5-1-6-14-27)33(41-25-29-17-9-3-10-18-29)34(42-26-30-19-11-4-12-20-30)32(22-36-38)40-24-28-15-7-2-8-16-28/h1-22,31-34,37-38H,23-26H2/b35-21+,36-22+/t31-,32-,33-,34-/m1/s1
InChIKeyYCSDUUKBZJOZJD-ANDPOUFWSA-N
XLogP6.25
TPSA102.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.67
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2R,3R,4R,5R,6E)-6-hydroxyimino-2,3,4,5-tetrakis(phenylmethoxy)hexylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2R,3R,4R,5R,6E)-6-hydroxyimino-2,3,4,5-tetrakis(phenylmethoxy)hexylidene]hydroxylamine (CID 10769350) is (NE)-N-[(2R,3R,4R,5R,6E)-6-hydroxyimino-2,3,4,5-tetrakis(phenylmethoxy)hexylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2R,3R,4R,5R,6E)-6-hydroxyimino-2,3,4,5-tetrakis(phenylmethoxy)hexylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2R,3R,4R,5R,6E)-6-hydroxyimino-2,3,4,5-tetrakis(phenylmethoxy)hexylidene]hydroxylamine is O/N=C/[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](/C=N/O)OCc1ccccc1.
What is the InChIKey of (NE)-N-[(2R,3R,4R,5R,6E)-6-hydroxyimino-2,3,4,5-tetrakis(phenylmethoxy)hexylidene]hydroxylamine?
The InChIKey is YCSDUUKBZJOZJD-ANDPOUFWSA-N. The full InChI is InChI=1S/C34H36N2O6/c37-35-21-31(39-23-27-13-5-1-6-14-27)33(41-25-29-17-9-3-10-18-29)34(42-26-30-19-11-4-12-20-30)32(22-36-38)40-24-28-15-7-2-8-16-28/h1-22,31-34,37-38H,23-26H2/b35-21+,36-22+/t31-,32-,33-,34-/m1/s1.
What are the key properties of (NE)-N-[(2R,3R,4R,5R,6E)-6-hydroxyimino-2,3,4,5-tetrakis(phenylmethoxy)hexylidene]hydroxylamine?
(NE)-N-[(2R,3R,4R,5R,6E)-6-hydroxyimino-2,3,4,5-tetrakis(phenylmethoxy)hexylidene]hydroxylamine has a molecular weight of 568.67 g/mol, XLogP of 6.25, 17 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2R,3R,4R,5R,6E)-6-hydroxyimino-2,3,4,5-tetrakis(phenylmethoxy)hexylidene]hydroxylamine is sourced from PubChem (CID 10769350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).