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

C41H42O6 — CID 11814226

IUPAC(2R,3S,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexanal
SMILESO=C[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C41H42O6/c42-26-38(44-28-34-18-8-2-9-19-34)40(46-30-36-22-12-4-13-23-36)41(47-31-37-24-14-5-15-25-37)39(45-29-35-20-10-3-11-21-35)32-43-27-33-16-6-1-7-17-33/h1-26,38-41H,27-32H2/t38-,39+,40+,41+/m0/s1
InChIKeyLFPXTZZQCFMQQD-HPVVNECPSA-N
MW630.78 g/mol
LogP7.74
Rot. Bonds20

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

(2R,3S,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexanal (PubChem CID 11814226) has the molecular formula C41H42O6 and a molecular weight of 630.78 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexanal.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexanal
PubChem CID11814226
Molecular FormulaC41H42O6
Molecular Weight630.78 g/mol
Exact Mass630.30
IUPAC Name(2R,3S,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexanal
SMILESO=C[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C41H42O6/c42-26-38(44-28-34-18-8-2-9-19-34)40(46-30-36-22-12-4-13-23-36)41(47-31-37-24-14-5-15-25-37)39(45-29-35-20-10-3-11-21-35)32-43-27-33-16-6-1-7-17-33/h1-26,38-41H,27-32H2/t38-,39+,40+,41+/m0/s1
InChIKeyLFPXTZZQCFMQQD-HPVVNECPSA-N
XLogP7.74
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.78
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,5,6-pentakis(phenylmethoxy)hexanal
CID 14131714
[(1R,2S)-2-phenylmethoxy-1-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]but-3-enoxy]methylbenzene
CID 101489173
[(1S,2R,3R)-1-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3,4-tris(phenylmethoxy)butoxy]methylbenzene
CID 99647470
(2R,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentanal
CID 100963665
(2R,3R,4S,5R)-6-hydroxy-2,3,4,5-tetrakis(phenylmethoxy)hexanal
CID 54316923
[(2S,3R,4S)-1,3,4,5-tetrakis(phenylmethoxy)pentan-2-yl] formate
CID 177394840
(2S,3R,4R,5S)-5-hydroxy-2,3,4-tris(phenylmethoxy)hexanal
CID 18610492
(2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol
CID 122226978
(2S,3S,4R)-4-azido-2,3,5-tris(phenylmethoxy)pentanal
CID 102408830
1-methoxy-4-[[(2R,3R,4R,5R)-4-[(4-methoxyphenyl)methoxy]-1,2,5,6-tetrakis(phenylmethoxy)hexan-3-yl]oxymethyl]benzene
CID 10985612
(2R,3S,4S)-2,4-dimethyl-3,5-bis(phenylmethoxy)pentanal
CID 11738903
(2S,3R,4S)-2,4-dimethyl-3,5-bis(phenylmethoxy)pentanal
CID 12995469

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexanal?
The IUPAC name of (2R,3S,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexanal (CID 11814226) is (2R,3S,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexanal.
What is the SMILES notation for (2R,3S,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexanal?
The canonical SMILES for (2R,3S,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexanal is O=C[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COCc1ccccc1)OCc1ccccc1.
What is the InChIKey of (2R,3S,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexanal?
The InChIKey is LFPXTZZQCFMQQD-HPVVNECPSA-N. The full InChI is InChI=1S/C41H42O6/c42-26-38(44-28-34-18-8-2-9-19-34)40(46-30-36-22-12-4-13-23-36)41(47-31-37-24-14-5-15-25-37)39(45-29-35-20-10-3-11-21-35)32-43-27-33-16-6-1-7-17-33/h1-26,38-41H,27-32H2/t38-,39+,40+,41+/m0/s1.
What are the key properties of (2R,3S,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexanal?
(2R,3S,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexanal has a molecular weight of 630.78 g/mol, XLogP of 7.74, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexanal is sourced from PubChem (CID 11814226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).