(2R,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentanal

C29H32O5 — CID 100963665

IUPAC(2R,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentanal
SMILESC=CCOC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](C=O)OCc1ccccc1
InChIInChI=1S/C29H32O5/c1-2-18-31-23-28(33-21-25-14-8-4-9-15-25)29(34-22-26-16-10-5-11-17-26)27(19-30)32-20-24-12-6-3-7-13-24/h2-17,19,27-29H,1,18,20-23H2/t27-,28+,29-/m0/s1
InChIKeyHFIBUAAMEMOSAO-NHKHRBQYSA-N
MW460.57 g/mol
LogP5.14
Rot. Bonds16

About (2R,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentanal

(2R,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentanal (PubChem CID 100963665) has the molecular formula C29H32O5 and a molecular weight of 460.57 g/mol. Its IUPAC name is (2R,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentanal.

Molecular Properties

Compound Name(2R,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentanal
PubChem CID100963665
Molecular FormulaC29H32O5
Molecular Weight460.57 g/mol
Exact Mass460.22
IUPAC Name(2R,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentanal
SMILESC=CCOC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](C=O)OCc1ccccc1
InChIInChI=1S/C29H32O5/c1-2-18-31-23-28(33-21-25-14-8-4-9-15-25)29(34-22-26-16-10-5-11-17-26)27(19-30)32-20-24-12-6-3-7-13-24/h2-17,19,27-29H,1,18,20-23H2/t27-,28+,29-/m0/s1
InChIKeyHFIBUAAMEMOSAO-NHKHRBQYSA-N
XLogP5.14
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.57
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,5,6-pentakis(phenylmethoxy)hexanal
CID 14131714
(2R,3S,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexanal
CID 11814226
[(1R,2S)-2-phenylmethoxy-1-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]but-3-enoxy]methylbenzene
CID 101489173
(2R,3R,4S,5R)-6-hydroxy-2,3,4,5-tetrakis(phenylmethoxy)hexanal
CID 54316923
(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal
CID 56926974
(2S,3S,4R,5E)-2,3,4-tris(phenylmethoxy)octa-5,7-dienal
CID 101049962
[(1S,2R,3R)-1-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3,4-tris(phenylmethoxy)butoxy]methylbenzene
CID 99647470
(2R,3S,4R)-5-azido-2,3,4-tris(phenylmethoxy)pentanal
CID 18654073
N-[(2R,3S,4S)-5-oxo-2,3,4-tris(phenylmethoxy)pentyl]-N-phenylmethoxyformamide
CID 118433511
[(2S,3R,4S)-1,3,4,5-tetrakis(phenylmethoxy)pentan-2-yl] formate
CID 177394840
(2S,3S,4R)-4-azido-2,3,5-tris(phenylmethoxy)pentanal
CID 102408830
(2S,3R,4R,5S)-5-hydroxy-2,3,4-tris(phenylmethoxy)hexanal
CID 18610492

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentanal?
The IUPAC name of (2R,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentanal (CID 100963665) is (2R,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentanal.
What is the SMILES notation for (2R,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentanal?
The canonical SMILES for (2R,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentanal is C=CCOC[C@@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](C=O)OCc1ccccc1.
What is the InChIKey of (2R,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentanal?
The InChIKey is HFIBUAAMEMOSAO-NHKHRBQYSA-N. The full InChI is InChI=1S/C29H32O5/c1-2-18-31-23-28(33-21-25-14-8-4-9-15-25)29(34-22-26-16-10-5-11-17-26)27(19-30)32-20-24-12-6-3-7-13-24/h2-17,19,27-29H,1,18,20-23H2/t27-,28+,29-/m0/s1.
What are the key properties of (2R,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentanal?
(2R,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentanal has a molecular weight of 460.57 g/mol, XLogP of 5.14, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentanal is sourced from PubChem (CID 100963665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).