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

C34H36O6 — CID 54316923

IUPAC(2R,3R,4S,5R)-6-hydroxy-2,3,4,5-tetrakis(phenylmethoxy)hexanal
SMILESO=C[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](CO)OCc1ccccc1
InChIInChI=1S/C34H36O6/c35-21-31(37-23-27-13-5-1-6-14-27)33(39-25-29-17-9-3-10-18-29)34(40-26-30-19-11-4-12-20-30)32(22-36)38-24-28-15-7-2-8-16-28/h1-21,31-34,36H,22-26H2/t31-,32+,33-,34-/m0/s1
InChIKeySOWJPLPNZAPZOB-HWFRFQLBSA-N
MW540.66 g/mol
LogP5.52
Rot. Bonds17

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

(2R,3R,4S,5R)-6-hydroxy-2,3,4,5-tetrakis(phenylmethoxy)hexanal (PubChem CID 54316923) has the molecular formula C34H36O6 and a molecular weight of 540.66 g/mol. Its IUPAC name is (2R,3R,4S,5R)-6-hydroxy-2,3,4,5-tetrakis(phenylmethoxy)hexanal.

Molecular Properties

Compound Name(2R,3R,4S,5R)-6-hydroxy-2,3,4,5-tetrakis(phenylmethoxy)hexanal
PubChem CID54316923
Molecular FormulaC34H36O6
Molecular Weight540.66 g/mol
Exact Mass540.25
IUPAC Name(2R,3R,4S,5R)-6-hydroxy-2,3,4,5-tetrakis(phenylmethoxy)hexanal
SMILESO=C[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](CO)OCc1ccccc1
InChIInChI=1S/C34H36O6/c35-21-31(37-23-27-13-5-1-6-14-27)33(39-25-29-17-9-3-10-18-29)34(40-26-30-19-11-4-12-20-30)32(22-36)38-24-28-15-7-2-8-16-28/h1-21,31-34,36H,22-26H2/t31-,32+,33-,34-/m0/s1
InChIKeySOWJPLPNZAPZOB-HWFRFQLBSA-N
XLogP5.52
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.66
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4R,5S)-5-hydroxy-2,3,4-tris(phenylmethoxy)hexanal
CID 18610492
2,3,4,5,6-pentakis(phenylmethoxy)hexanal
CID 14131714
(2R,3S,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexanal
CID 11814226
(2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol
CID 11048386
3,4-dihydroxy-2-phenylmethoxybutanal
CID 174530051
(2R,3R,4R,5R)-2,3,4,5,6-pentakis(phenylmethoxy)hexan-1-ol
CID 122226978
(2R,3R,4R)-2,3,4-tris(phenylmethoxy)-5-prop-2-enoxypentanal
CID 100963665
(2S,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-phenylmethoxyhexanal
CID 88598218
(2R,3R,4S)-3-hydroxy-2-(hydroxymethyl)-4-phenylmethoxypentanedial
CID 15235480
(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
(2R,3R,4R,5R)-4,5,6-trihydroxy-3-[(4-methoxyphenyl)methoxy]-2-phenylmethoxyhexanal
CID 174667133

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-6-hydroxy-2,3,4,5-tetrakis(phenylmethoxy)hexanal?
The IUPAC name of (2R,3R,4S,5R)-6-hydroxy-2,3,4,5-tetrakis(phenylmethoxy)hexanal (CID 54316923) is (2R,3R,4S,5R)-6-hydroxy-2,3,4,5-tetrakis(phenylmethoxy)hexanal.
What is the SMILES notation for (2R,3R,4S,5R)-6-hydroxy-2,3,4,5-tetrakis(phenylmethoxy)hexanal?
The canonical SMILES for (2R,3R,4S,5R)-6-hydroxy-2,3,4,5-tetrakis(phenylmethoxy)hexanal is O=C[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](OCc1ccccc1)[C@@H](CO)OCc1ccccc1.
What is the InChIKey of (2R,3R,4S,5R)-6-hydroxy-2,3,4,5-tetrakis(phenylmethoxy)hexanal?
The InChIKey is SOWJPLPNZAPZOB-HWFRFQLBSA-N. The full InChI is InChI=1S/C34H36O6/c35-21-31(37-23-27-13-5-1-6-14-27)33(39-25-29-17-9-3-10-18-29)34(40-26-30-19-11-4-12-20-30)32(22-36)38-24-28-15-7-2-8-16-28/h1-21,31-34,36H,22-26H2/t31-,32+,33-,34-/m0/s1.
What are the key properties of (2R,3R,4S,5R)-6-hydroxy-2,3,4,5-tetrakis(phenylmethoxy)hexanal?
(2R,3R,4S,5R)-6-hydroxy-2,3,4,5-tetrakis(phenylmethoxy)hexanal has a molecular weight of 540.66 g/mol, XLogP of 5.52, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-6-hydroxy-2,3,4,5-tetrakis(phenylmethoxy)hexanal is sourced from PubChem (CID 54316923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).