(2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal

C27H30O6 — CID 87261996

IUPAC(2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal
SMILESO=C[C@H](O)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C27H30O6/c28-16-24(29)26(32-18-22-12-6-2-7-13-22)27(33-19-23-14-8-3-9-15-23)25(30)20-31-17-21-10-4-1-5-11-21/h1-16,24-27,29-30H,17-20H2/t24-,25+,26+,27+/m0/s1
InChIKeyDGIYKLWEVUSOLJ-FICKONGGSA-N
MW450.53 g/mol
LogP3.29
Rot. Bonds14

About (2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal

(2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal (PubChem CID 87261996) has the molecular formula C27H30O6 and a molecular weight of 450.53 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal
PubChem CID87261996
Molecular FormulaC27H30O6
Molecular Weight450.53 g/mol
Exact Mass450.20
IUPAC Name(2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal
SMILESO=C[C@H](O)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1
InChIInChI=1S/C27H30O6/c28-16-24(29)26(32-18-22-12-6-2-7-13-22)27(33-19-23-14-8-3-9-15-23)25(30)20-31-17-21-10-4-1-5-11-21/h1-16,24-27,29-30H,17-20H2/t24-,25+,26+,27+/m0/s1
InChIKeyDGIYKLWEVUSOLJ-FICKONGGSA-N
XLogP3.29
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.53
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R,5R)-1,3,4,6-tetrakis(phenylmethoxy)hexane-2,5-diol
CID 15673926
(2R,3R,4R)-1,3-bis(phenylmethoxy)pentane-2,4-diol
CID 11067059
(2R,3S,4R,5S)-1,3,4,5-tetrakis(phenylmethoxy)hept-6-en-2-ol
CID 11827633
(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol
CID 101350837
2,4,5,6-tetrahydroxy-3-phenylmethoxyhexanal
CID 561693
(2R,3S,4R,5S)-6-amino-1,3,4,5-tetrakis(phenylmethoxy)hexan-2-ol
CID 101237223
(2R,3S,4R)-5,5-bis(benzylsulfanyl)-1,3,4-tris(phenylmethoxy)pentan-2-ol
CID 10580114
methyl (E,4S,5R,6R)-4,6-dihydroxy-5,7-bis(phenylmethoxy)hept-2-enoate
CID 11417789
(2R,3R,4R)-4-fluoro-5-imino-1,3-bis(phenylmethoxy)pentan-2-ol
CID 146406666
(2S,3S,4S,5S)-1-[dimethyl(phenyl)silyl]-3,4,6-tris(phenylmethoxy)hexane-2,5-diol
CID 10984659
(2R,3S,4R,5R)-N-(1,3-dihydroxypropan-2-yl)-5-hydroxy-2,3,4,6-tetrakis(phenylmethoxy)hexanamide
CID 25135765
(2R,3S,4S)-2,4-dimethyl-3,5-bis(phenylmethoxy)pentanal
CID 11738903

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal?
The IUPAC name of (2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal (CID 87261996) is (2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal.
What is the SMILES notation for (2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal?
The canonical SMILES for (2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal is O=C[C@H](O)[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)COCc1ccccc1.
What is the InChIKey of (2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal?
The InChIKey is DGIYKLWEVUSOLJ-FICKONGGSA-N. The full InChI is InChI=1S/C27H30O6/c28-16-24(29)26(32-18-22-12-6-2-7-13-22)27(33-19-23-14-8-3-9-15-23)25(30)20-31-17-21-10-4-1-5-11-21/h1-16,24-27,29-30H,17-20H2/t24-,25+,26+,27+/m0/s1.
What are the key properties of (2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal?
(2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal has a molecular weight of 450.53 g/mol, XLogP of 3.29, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2,5-dihydroxy-3,4,6-tris(phenylmethoxy)hexanal is sourced from PubChem (CID 87261996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).