N-benzyl-N-[(2R,3S,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]hydroxylamine

C33H35NO5 — CID 101165637

IUPACN-benzyl-N-[(2R,3S,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]hydroxylamine
SMILESON(Cc1ccccc1)[C@@H]1O[C@@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C33H35NO5/c35-34(21-26-13-5-1-6-14-26)33-32(38-24-29-19-11-4-12-20-29)31(37-23-28-17-9-3-10-18-28)30(39-33)25-36-22-27-15-7-2-8-16-27/h1-20,30-33,35H,21-25H2/t30-,31+,32-,33+/m0/s1
InChIKeyFOTSXSNKKCTZTM-ISSPZXTRSA-N
MW525.65 g/mol
LogP5.99
Rot. Bonds13

About N-benzyl-N-[(2R,3S,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]hydroxylamine

N-benzyl-N-[(2R,3S,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]hydroxylamine (PubChem CID 101165637) has the molecular formula C33H35NO5 and a molecular weight of 525.65 g/mol. Its IUPAC name is N-benzyl-N-[(2R,3S,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-benzyl-N-[(2R,3S,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]hydroxylamine
PubChem CID101165637
Molecular FormulaC33H35NO5
Molecular Weight525.65 g/mol
Exact Mass525.25
IUPAC NameN-benzyl-N-[(2R,3S,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]hydroxylamine
SMILESON(Cc1ccccc1)[C@@H]1O[C@@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C33H35NO5/c35-34(21-26-13-5-1-6-14-26)33-32(38-24-29-19-11-4-12-20-29)31(37-23-28-17-9-3-10-18-28)30(39-33)25-36-22-27-15-7-2-8-16-27/h1-20,30-33,35H,21-25H2/t30-,31+,32-,33+/m0/s1
InChIKeyFOTSXSNKKCTZTM-ISSPZXTRSA-N
XLogP5.99
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.65
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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(3R,4S,5S)-N-benzyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-amine
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2R,3S,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]hydroxylamine?
The IUPAC name of N-benzyl-N-[(2R,3S,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]hydroxylamine (CID 101165637) is N-benzyl-N-[(2R,3S,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]hydroxylamine.
What is the SMILES notation for N-benzyl-N-[(2R,3S,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]hydroxylamine?
The canonical SMILES for N-benzyl-N-[(2R,3S,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]hydroxylamine is ON(Cc1ccccc1)[C@@H]1O[C@@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of N-benzyl-N-[(2R,3S,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]hydroxylamine?
The InChIKey is FOTSXSNKKCTZTM-ISSPZXTRSA-N. The full InChI is InChI=1S/C33H35NO5/c35-34(21-26-13-5-1-6-14-26)33-32(38-24-29-19-11-4-12-20-29)31(37-23-28-17-9-3-10-18-28)30(39-33)25-36-22-27-15-7-2-8-16-27/h1-20,30-33,35H,21-25H2/t30-,31+,32-,33+/m0/s1.
What are the key properties of N-benzyl-N-[(2R,3S,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]hydroxylamine?
N-benzyl-N-[(2R,3S,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]hydroxylamine has a molecular weight of 525.65 g/mol, XLogP of 5.99, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2R,3S,4R,5S)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]hydroxylamine is sourced from PubChem (CID 101165637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).