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

C26H28O4 — CID 10982338

IUPAC(3R,4S)-3,4,5-tris(phenylmethoxy)pentanal
SMILESO=CC[C@@H](OCc1ccccc1)[C@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C26H28O4/c27-17-16-25(29-19-23-12-6-2-7-13-23)26(30-20-24-14-8-3-9-15-24)21-28-18-22-10-4-1-5-11-22/h1-15,17,25-26H,16,18-21H2/t25-,26+/m1/s1
InChIKeyLGCMLMSLBSCDKD-FTJBHMTQSA-N
MW404.51 g/mol
LogP4.96
Rot. Bonds13

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

(3R,4S)-3,4,5-tris(phenylmethoxy)pentanal (PubChem CID 10982338) has the molecular formula C26H28O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is (3R,4S)-3,4,5-tris(phenylmethoxy)pentanal.

Molecular Properties

Compound Name(3R,4S)-3,4,5-tris(phenylmethoxy)pentanal
PubChem CID10982338
Molecular FormulaC26H28O4
Molecular Weight404.51 g/mol
Exact Mass404.20
IUPAC Name(3R,4S)-3,4,5-tris(phenylmethoxy)pentanal
SMILESO=CC[C@@H](OCc1ccccc1)[C@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C26H28O4/c27-17-16-25(29-19-23-12-6-2-7-13-23)26(30-20-24-14-8-3-9-15-24)21-28-18-22-10-4-1-5-11-22/h1-15,17,25-26H,16,18-21H2/t25-,26+/m1/s1
InChIKeyLGCMLMSLBSCDKD-FTJBHMTQSA-N
XLogP4.96
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R,6S)-5,6-bis(benzyloxy)cyclohex-2-enone
CID 11809004
8,9-Bis(phenylmethoxy)-2,6-dioxabicyclo[3.3.1]nonan-3-one
CID 162664103
Tri-O-benzyl-D-galactal
CID 2734741
(3R,4R,5R)-3,4-bis(benzyloxy)-5-((benzyloxy)methyl)dihydrofuran-2(3H)-one
CID 11004289
Benzeneacetic acid, 1,1'-(1-phenyl-1,2-ethanediyl) ester
CID 111027
(2S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-one
CID 10624274
(2S,4S,5R,6R)-2-ethyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-one
CID 44440825
Tri-O-benzyl-D-glucal
CID 11742644
(2R,3S,4R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 10812251
(2S,3R)-2,3-bis(benzyloxy)cyclohexanone
CID 44413568
(2S,4S,5R,6R)-2-methyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-one
CID 44440822
(2S,4S,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-propyloxan-3-one
CID 44440827

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4,5-tris(phenylmethoxy)pentanal?
The IUPAC name of (3R,4S)-3,4,5-tris(phenylmethoxy)pentanal (CID 10982338) is (3R,4S)-3,4,5-tris(phenylmethoxy)pentanal.
What is the SMILES notation for (3R,4S)-3,4,5-tris(phenylmethoxy)pentanal?
The canonical SMILES for (3R,4S)-3,4,5-tris(phenylmethoxy)pentanal is O=CC[C@@H](OCc1ccccc1)[C@H](COCc1ccccc1)OCc1ccccc1.
What is the InChIKey of (3R,4S)-3,4,5-tris(phenylmethoxy)pentanal?
The InChIKey is LGCMLMSLBSCDKD-FTJBHMTQSA-N. The full InChI is InChI=1S/C26H28O4/c27-17-16-25(29-19-23-12-6-2-7-13-23)26(30-20-24-14-8-3-9-15-24)21-28-18-22-10-4-1-5-11-22/h1-15,17,25-26H,16,18-21H2/t25-,26+/m1/s1.
What are the key properties of (3R,4S)-3,4,5-tris(phenylmethoxy)pentanal?
(3R,4S)-3,4,5-tris(phenylmethoxy)pentanal has a molecular weight of 404.51 g/mol, XLogP of 4.96, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3,4,5-tris(phenylmethoxy)pentanal is sourced from PubChem (CID 10982338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).