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

C33H35NO4 — CID 11813211

IUPAC(3R,4S,5S)-N-benzyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-amine
SMILESc1ccc(CNC2O[C@@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C33H35NO4/c1-5-13-26(14-6-1)21-34-33-32(37-24-29-19-11-4-12-20-29)31(36-23-28-17-9-3-10-18-28)30(38-33)25-35-22-27-15-7-2-8-16-27/h1-20,30-34H,21-25H2/t30-,31-,32+,33?/m0/s1
InChIKeyIMHITWXSYMTQBM-HBJVCUMASA-N
MW509.65 g/mol
LogP5.89
Rot. Bonds13

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

(3R,4S,5S)-N-benzyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-amine (PubChem CID 11813211) has the molecular formula C33H35NO4 and a molecular weight of 509.65 g/mol. Its IUPAC name is (3R,4S,5S)-N-benzyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-amine.

Molecular Properties

Compound Name(3R,4S,5S)-N-benzyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-amine
PubChem CID11813211
Molecular FormulaC33H35NO4
Molecular Weight509.65 g/mol
Exact Mass509.26
IUPAC Name(3R,4S,5S)-N-benzyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-amine
SMILESc1ccc(CNC2O[C@@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1
InChIInChI=1S/C33H35NO4/c1-5-13-26(14-6-1)21-34-33-32(37-24-29-19-11-4-12-20-29)31(36-23-28-17-9-3-10-18-28)30(38-33)25-35-22-27-15-7-2-8-16-27/h1-20,30-34H,21-25H2/t30-,31-,32+,33?/m0/s1
InChIKeyIMHITWXSYMTQBM-HBJVCUMASA-N
XLogP5.89
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.65
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4S,5S)-N-benzyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Deoxynojirimycin Tetrabenzyl Ether
CID 11027759
Benzyl-(4,5-bis-benzyloxy-6-benzyloxymethyl-2-oxo-2-phenyl-2lambda*5*-[1,2]oxaphosphinan-3-yl)-amine
CID 60148167
2,3,4,6-Tetra-O-benzyl-1-deoxynojirimycin Hydrochloric Acid Salt
CID 57369853
(2R,3R,4R,5S)-3,4,5-Tris(phenylmethoxy)-2-[(phenylmethoxy)methyl]piperidine Hydrochloride
CID 71752407
3,4,5-Tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine;hydrochloride
CID 76522009
(2R,3R,4S,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine;hydrochloride
CID 131632833
(3R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine;hydrochloride
CID 131700684
N-benzyl-2,3,5-tri-O-ben-zyl-d-arabinofuranosylamine
CID 14284838
Piperidine, 3,4,5-tris(phenylmethoxy)-2-((phenylmethoxy)methyl)-
CID 14444606
(2R,3S,4S)-3,4,5-Tris(benzyloxy)-2-(((R)-1-phenylethyl)amino)pentan-1-ol
CID 72707772
(3S,4S)-1,1-dibenzyl-3,4-bis(phenylmethoxy)pyrrolidin-1-ium
CID 135012133
(2R,3S,4S,5R,6R)-3,4,5-tris(Benzyloxy)-6-((benzyloxy)methyl)tetrahydro-2H-pyran-2-amine
CID 10324990

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-N-benzyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-amine?
The IUPAC name of (3R,4S,5S)-N-benzyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-amine (CID 11813211) is (3R,4S,5S)-N-benzyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-amine.
What is the SMILES notation for (3R,4S,5S)-N-benzyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-amine?
The canonical SMILES for (3R,4S,5S)-N-benzyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-amine is c1ccc(CNC2O[C@@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1.
What is the InChIKey of (3R,4S,5S)-N-benzyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-amine?
The InChIKey is IMHITWXSYMTQBM-HBJVCUMASA-N. The full InChI is InChI=1S/C33H35NO4/c1-5-13-26(14-6-1)21-34-33-32(37-24-29-19-11-4-12-20-29)31(36-23-28-17-9-3-10-18-28)30(38-33)25-35-22-27-15-7-2-8-16-27/h1-20,30-34H,21-25H2/t30-,31-,32+,33?/m0/s1.
What are the key properties of (3R,4S,5S)-N-benzyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-amine?
(3R,4S,5S)-N-benzyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-amine has a molecular weight of 509.65 g/mol, XLogP of 5.89, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-N-benzyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-amine is sourced from PubChem (CID 11813211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).