(2S,3R,4S)-4-hydroxy-2,3,5-tris(phenylmethoxy)pentanal

C26H28O5 — CID 87260033

IUPAC(2S,3R,4S)-4-hydroxy-2,3,5-tris(phenylmethoxy)pentanal
SMILESO=C[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](O)COCc1ccccc1
InChIInChI=1S/C26H28O5/c27-16-25(30-18-22-12-6-2-7-13-22)26(31-19-23-14-8-3-9-15-23)24(28)20-29-17-21-10-4-1-5-11-21/h1-16,24-26,28H,17-20H2/t24-,25+,26+/m0/s1
InChIKeyXUCNSIRQCBFBHF-JIMJEQGWSA-N
MW420.50 g/mol
LogP3.93
Rot. Bonds13

About (2S,3R,4S)-4-hydroxy-2,3,5-tris(phenylmethoxy)pentanal

(2S,3R,4S)-4-hydroxy-2,3,5-tris(phenylmethoxy)pentanal (PubChem CID 87260033) has the molecular formula C26H28O5 and a molecular weight of 420.50 g/mol. Its IUPAC name is (2S,3R,4S)-4-hydroxy-2,3,5-tris(phenylmethoxy)pentanal.

Molecular Properties

Compound Name(2S,3R,4S)-4-hydroxy-2,3,5-tris(phenylmethoxy)pentanal
PubChem CID87260033
Molecular FormulaC26H28O5
Molecular Weight420.50 g/mol
Exact Mass420.19
IUPAC Name(2S,3R,4S)-4-hydroxy-2,3,5-tris(phenylmethoxy)pentanal
SMILESO=C[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](O)COCc1ccccc1
InChIInChI=1S/C26H28O5/c27-16-25(30-18-22-12-6-2-7-13-22)26(31-19-23-14-8-3-9-15-23)24(28)20-29-17-21-10-4-1-5-11-21/h1-16,24-26,28H,17-20H2/t24-,25+,26+/m0/s1
InChIKeyXUCNSIRQCBFBHF-JIMJEQGWSA-N
XLogP3.93
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (2S,3R,4S)-4-hydroxy-2,3,5-tris(phenylmethoxy)pentanal 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 (2S,3R,4S)-4-hydroxy-2,3,5-tris(phenylmethoxy)pentanal?
The IUPAC name of (2S,3R,4S)-4-hydroxy-2,3,5-tris(phenylmethoxy)pentanal (CID 87260033) is (2S,3R,4S)-4-hydroxy-2,3,5-tris(phenylmethoxy)pentanal.
What is the SMILES notation for (2S,3R,4S)-4-hydroxy-2,3,5-tris(phenylmethoxy)pentanal?
The canonical SMILES for (2S,3R,4S)-4-hydroxy-2,3,5-tris(phenylmethoxy)pentanal is O=C[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](O)COCc1ccccc1.
What is the InChIKey of (2S,3R,4S)-4-hydroxy-2,3,5-tris(phenylmethoxy)pentanal?
The InChIKey is XUCNSIRQCBFBHF-JIMJEQGWSA-N. The full InChI is InChI=1S/C26H28O5/c27-16-25(30-18-22-12-6-2-7-13-22)26(31-19-23-14-8-3-9-15-23)24(28)20-29-17-21-10-4-1-5-11-21/h1-16,24-26,28H,17-20H2/t24-,25+,26+/m0/s1.
What are the key properties of (2S,3R,4S)-4-hydroxy-2,3,5-tris(phenylmethoxy)pentanal?
(2S,3R,4S)-4-hydroxy-2,3,5-tris(phenylmethoxy)pentanal has a molecular weight of 420.50 g/mol, XLogP of 3.93, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-4-hydroxy-2,3,5-tris(phenylmethoxy)pentanal is sourced from PubChem (CID 87260033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).