(2R,3R,4S,5E)-2,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-1-ol

C33H35NO5 — CID 10578019

IUPAC(2R,3R,4S,5E)-2,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-1-ol
SMILESOC[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](/C=N/OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C33H35NO5/c35-22-32(37-24-28-15-7-2-8-16-28)33(38-25-29-17-9-3-10-18-29)31(36-23-27-13-5-1-6-14-27)21-34-39-26-30-19-11-4-12-20-30/h1-21,31-33,35H,22-26H2/b34-21+/t31-,32+,33+/m0/s1
InChIKeyGGRZIKFWPSPWAQ-XKNPLBEZSA-N
MW525.65 g/mol
LogP5.94
Rot. Bonds16

About (2R,3R,4S,5E)-2,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-1-ol

(2R,3R,4S,5E)-2,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-1-ol (PubChem CID 10578019) has the molecular formula C33H35NO5 and a molecular weight of 525.65 g/mol. Its IUPAC name is (2R,3R,4S,5E)-2,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-1-ol.

Molecular Properties

Compound Name(2R,3R,4S,5E)-2,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-1-ol
PubChem CID10578019
Molecular FormulaC33H35NO5
Molecular Weight525.65 g/mol
Exact Mass525.25
IUPAC Name(2R,3R,4S,5E)-2,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-1-ol
SMILESOC[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](/C=N/OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C33H35NO5/c35-22-32(37-24-28-15-7-2-8-16-28)33(38-25-29-17-9-3-10-18-29)31(36-23-27-13-5-1-6-14-27)21-34-39-26-30-19-11-4-12-20-30/h1-21,31-33,35H,22-26H2/b34-21+/t31-,32+,33+/m0/s1
InChIKeyGGRZIKFWPSPWAQ-XKNPLBEZSA-N
XLogP5.94
TPSA69.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.65
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R,3R,4S,5E)-2,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5E)-2,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-1-ol?
The IUPAC name of (2R,3R,4S,5E)-2,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-1-ol (CID 10578019) is (2R,3R,4S,5E)-2,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-1-ol.
What is the SMILES notation for (2R,3R,4S,5E)-2,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-1-ol?
The canonical SMILES for (2R,3R,4S,5E)-2,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-1-ol is OC[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](/C=N/OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of (2R,3R,4S,5E)-2,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-1-ol?
The InChIKey is GGRZIKFWPSPWAQ-XKNPLBEZSA-N. The full InChI is InChI=1S/C33H35NO5/c35-22-32(37-24-28-15-7-2-8-16-28)33(38-25-29-17-9-3-10-18-29)31(36-23-27-13-5-1-6-14-27)21-34-39-26-30-19-11-4-12-20-30/h1-21,31-33,35H,22-26H2/b34-21+/t31-,32+,33+/m0/s1.
What are the key properties of (2R,3R,4S,5E)-2,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-1-ol?
(2R,3R,4S,5E)-2,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-1-ol has a molecular weight of 525.65 g/mol, XLogP of 5.94, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5E)-2,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-1-ol is sourced from PubChem (CID 10578019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).