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

C41H43NO6 — CID 102423157

IUPACN-benzyl-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]hydroxylamine
SMILESON(Cc1ccccc1)C1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C41H43NO6/c43-42(26-32-16-6-1-7-17-32)41-40(47-30-36-24-14-5-15-25-36)39(46-29-35-22-12-4-13-23-35)38(45-28-34-20-10-3-11-21-34)37(48-41)31-44-27-33-18-8-2-9-19-33/h1-25,37-41,43H,26-31H2/t37-,38-,39+,40-,41?/m1/s1
InChIKeyIJMDZSUXBJEIGF-WWGFXPMHSA-N
MW645.80 g/mol
LogP7.58
Rot. Bonds16

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

N-benzyl-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]hydroxylamine (PubChem CID 102423157) has the molecular formula C41H43NO6 and a molecular weight of 645.80 g/mol. Its IUPAC name is N-benzyl-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-benzyl-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]hydroxylamine
PubChem CID102423157
Molecular FormulaC41H43NO6
Molecular Weight645.80 g/mol
Exact Mass645.31
IUPAC NameN-benzyl-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]hydroxylamine
SMILESON(Cc1ccccc1)C1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C41H43NO6/c43-42(26-32-16-6-1-7-17-32)41-40(47-30-36-24-14-5-15-25-36)39(46-29-35-22-12-4-13-23-35)38(45-28-34-20-10-3-11-21-34)37(48-41)31-44-27-33-18-8-2-9-19-33/h1-25,37-41,43H,26-31H2/t37-,38-,39+,40-,41?/m1/s1
InChIKeyIJMDZSUXBJEIGF-WWGFXPMHSA-N
XLogP7.58
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.80
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-Benzyl-3,4,5-tris(benzyloxy)-2-piperidinecarbaldehyde oxime
CID 9569915
(1-Benzyl-3,4,5-tris(benzyloxy)-2-piperidinyl)methanol
CID 364050
(2R,3R,4S,5S,6R)-1-benzyl-5-fluoro-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-6-prop-2-enylpiperidine
CID 162401793
(2S,3R,4S,5R,6R)-2-azido-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11699739
(2R,3R,4S,5R,6R)-2-azido-3,4,5-tris(benzyloxy)-6-[(benzyloxy)methyl]oxane
CID 11060794
N-benzyl-2,3,5-tri-O-ben-zyl-d-arabinofuranosylamine
CID 14284838
(2S,3S,4S,5R,6R)-2-azido-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 54116735
(3S,4S,5R,6R,7R)-1-benzyl-5,6-bis(phenylmethoxy)-7-(phenylmethoxymethyl)azepane-3,4-diol
CID 101881806
[(2R,3S,4R,5R,6R)-1-benzyl-3-hydroxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)piperidin-2-yl]methyl acetate
CID 140255140
(6S,7R,8S)-5-benzyl-7,8-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxa-5-azabicyclo[2.2.2]octane
CID 391868
(2S,3R,4R,5S)-1-[2-(2-fluorophenyl)ethyl]-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 155721103
(2R,3R,4R,5S)-1-[2-(2,6-difluorophenyl)ethyl]-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 157039617

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]hydroxylamine?
The IUPAC name of N-benzyl-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]hydroxylamine (CID 102423157) is N-benzyl-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]hydroxylamine.
What is the SMILES notation for N-benzyl-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]hydroxylamine?
The canonical SMILES for N-benzyl-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]hydroxylamine is ON(Cc1ccccc1)C1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of N-benzyl-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]hydroxylamine?
The InChIKey is IJMDZSUXBJEIGF-WWGFXPMHSA-N. The full InChI is InChI=1S/C41H43NO6/c43-42(26-32-16-6-1-7-17-32)41-40(47-30-36-24-14-5-15-25-36)39(46-29-35-22-12-4-13-23-35)38(45-28-34-20-10-3-11-21-34)37(48-41)31-44-27-33-18-8-2-9-19-33/h1-25,37-41,43H,26-31H2/t37-,38-,39+,40-,41?/m1/s1.
What are the key properties of N-benzyl-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]hydroxylamine?
N-benzyl-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]hydroxylamine has a molecular weight of 645.80 g/mol, XLogP of 7.58, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]hydroxylamine is sourced from PubChem (CID 102423157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).