(2R,3R,4S)-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanal

C34H34O6 — CID 11103493

IUPAC(2R,3R,4S)-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanal
SMILESO=C[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)C(=O)COCc1ccccc1
InChIInChI=1S/C34H34O6/c35-21-32(38-23-28-15-7-2-8-16-28)34(40-25-30-19-11-4-12-20-30)33(39-24-29-17-9-3-10-18-29)31(36)26-37-22-27-13-5-1-6-14-27/h1-21,32-34H,22-26H2/t32-,33+,34+/m0/s1
InChIKeyWJWPLPNIXAVFPX-LBFZIJHGSA-N
MW538.64 g/mol
LogP5.73
Rot. Bonds17

About (2R,3R,4S)-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanal

(2R,3R,4S)-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanal (PubChem CID 11103493) has the molecular formula C34H34O6 and a molecular weight of 538.64 g/mol. Its IUPAC name is (2R,3R,4S)-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanal.

Molecular Properties

Compound Name(2R,3R,4S)-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanal
PubChem CID11103493
Molecular FormulaC34H34O6
Molecular Weight538.64 g/mol
Exact Mass538.24
IUPAC Name(2R,3R,4S)-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanal
SMILESO=C[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)C(=O)COCc1ccccc1
InChIInChI=1S/C34H34O6/c35-21-32(38-23-28-15-7-2-8-16-28)34(40-25-30-19-11-4-12-20-30)33(39-24-29-17-9-3-10-18-29)31(36)26-37-22-27-13-5-1-6-14-27/h1-21,32-34H,22-26H2/t32-,33+,34+/m0/s1
InChIKeyWJWPLPNIXAVFPX-LBFZIJHGSA-N
XLogP5.73
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.64
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanal?
The IUPAC name of (2R,3R,4S)-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanal (CID 11103493) is (2R,3R,4S)-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanal.
What is the SMILES notation for (2R,3R,4S)-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanal?
The canonical SMILES for (2R,3R,4S)-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanal is O=C[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)C(=O)COCc1ccccc1.
What is the InChIKey of (2R,3R,4S)-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanal?
The InChIKey is WJWPLPNIXAVFPX-LBFZIJHGSA-N. The full InChI is InChI=1S/C34H34O6/c35-21-32(38-23-28-15-7-2-8-16-28)34(40-25-30-19-11-4-12-20-30)33(39-24-29-17-9-3-10-18-29)31(36)26-37-22-27-13-5-1-6-14-27/h1-21,32-34H,22-26H2/t32-,33+,34+/m0/s1.
What are the key properties of (2R,3R,4S)-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanal?
(2R,3R,4S)-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanal has a molecular weight of 538.64 g/mol, XLogP of 5.73, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-5-oxo-2,3,4,6-tetrakis(phenylmethoxy)hexanal is sourced from PubChem (CID 11103493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).