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

C33H35NO5 — CID 10602182

IUPAC(2R,3R,4R,5E)-1,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-2-ol
SMILESO[C@H](COCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](/C=N/OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C33H35NO5/c35-31(26-36-22-27-13-5-1-6-14-27)33(38-24-29-17-9-3-10-18-29)32(37-23-28-15-7-2-8-16-28)21-34-39-25-30-19-11-4-12-20-30/h1-21,31-33,35H,22-26H2/b34-21+/t31-,32-,33-/m1/s1
InChIKeyONEAXZQMRACUEG-IVUKEQQFSA-N
MW525.65 g/mol
LogP5.94
Rot. Bonds16

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

(2R,3R,4R,5E)-1,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-2-ol (PubChem CID 10602182) has the molecular formula C33H35NO5 and a molecular weight of 525.65 g/mol. Its IUPAC name is (2R,3R,4R,5E)-1,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-2-ol.

Molecular Properties

Compound Name(2R,3R,4R,5E)-1,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-2-ol
PubChem CID10602182
Molecular FormulaC33H35NO5
Molecular Weight525.65 g/mol
Exact Mass525.25
IUPAC Name(2R,3R,4R,5E)-1,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-2-ol
SMILESO[C@H](COCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](/C=N/OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C33H35NO5/c35-31(26-36-22-27-13-5-1-6-14-27)33(38-24-29-17-9-3-10-18-29)32(37-23-28-15-7-2-8-16-28)21-34-39-25-30-19-11-4-12-20-30/h1-21,31-33,35H,22-26H2/b34-21+/t31-,32-,33-/m1/s1
InChIKeyONEAXZQMRACUEG-IVUKEQQFSA-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'}

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Related Compounds

(2R,3R,4R,5E)-5-methoxyimino-1,3,4-tris(phenylmethoxy)pentan-2-ol
CID 118108863
(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
(2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol
CID 11827633
(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
CID 11067059
(2R,3R,4R)-4-fluoro-5-methoxyimino-1,3-bis(phenylmethoxy)pentan-2-ol
CID 131734110
(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol
CID 101350837
(2R,3S,4S,5Z)-1,3,4-trimethoxy-5-phenylmethoxyiminopentan-2-ol
CID 118336506
(2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal
CID 87261996
(2R,3S,4R)-5,5-bis(benzylsulfanyl)-1,3,4-tris(phenylmethoxy)pentan-2-ol
CID 10580114
(2R,3S,4R)-1,3,4-tris(phenylmethoxy)hexadec-5-en-2-ol
CID 57359772
(2R,3S,4R,5S)-6-amino-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-ol
CID 101237223
(2R,3R,4R)-4-fluoro-5-imino-1,3-bis(phenylmethoxy)pentan-2-ol
CID 146406666

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5E)-1,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-2-ol?
The IUPAC name of (2R,3R,4R,5E)-1,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-2-ol (CID 10602182) is (2R,3R,4R,5E)-1,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-2-ol.
What is the SMILES notation for (2R,3R,4R,5E)-1,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-2-ol?
The canonical SMILES for (2R,3R,4R,5E)-1,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-2-ol is O[C@H](COCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](/C=N/OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of (2R,3R,4R,5E)-1,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-2-ol?
The InChIKey is ONEAXZQMRACUEG-IVUKEQQFSA-N. The full InChI is InChI=1S/C33H35NO5/c35-31(26-36-22-27-13-5-1-6-14-27)33(38-24-29-17-9-3-10-18-29)32(37-23-28-15-7-2-8-16-28)21-34-39-25-30-19-11-4-12-20-30/h1-21,31-33,35H,22-26H2/b34-21+/t31-,32-,33-/m1/s1.
What are the key properties of (2R,3R,4R,5E)-1,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-2-ol?
(2R,3R,4R,5E)-1,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-2-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,4R,5E)-1,3,4-tris(phenylmethoxy)-5-phenylmethoxyiminopentan-2-ol is sourced from PubChem (CID 10602182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).