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

C20H24O5 — CID 87262078

IUPAC(3R,4R,5R)-5,6-dihydroxy-3,4-bis(phenylmethoxy)hexanal
SMILESO=CC[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)CO
InChIInChI=1S/C20H24O5/c21-12-11-19(24-14-16-7-3-1-4-8-16)20(18(23)13-22)25-15-17-9-5-2-6-10-17/h1-10,12,18-20,22-23H,11,13-15H2/t18-,19-,20-/m1/s1
InChIKeyWCXVYRSRVHTPHO-VAMGGRTRSA-N
MW344.41 g/mol
LogP2.10
Rot. Bonds11

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

(3R,4R,5R)-5,6-dihydroxy-3,4-bis(phenylmethoxy)hexanal (PubChem CID 87262078) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is (3R,4R,5R)-5,6-dihydroxy-3,4-bis(phenylmethoxy)hexanal.

Molecular Properties

Compound Name(3R,4R,5R)-5,6-dihydroxy-3,4-bis(phenylmethoxy)hexanal
PubChem CID87262078
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name(3R,4R,5R)-5,6-dihydroxy-3,4-bis(phenylmethoxy)hexanal
SMILESO=CC[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)CO
InChIInChI=1S/C20H24O5/c21-12-11-19(24-14-16-7-3-1-4-8-16)20(18(23)13-22)25-15-17-9-5-2-6-10-17/h1-10,12,18-20,22-23H,11,13-15H2/t18-,19-,20-/m1/s1
InChIKeyWCXVYRSRVHTPHO-VAMGGRTRSA-N
XLogP2.10
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4R,5S)-3,4-bis(phenylmethoxy)hexane-1,2,5,6-tetrol
CID 10893804
(2S,3S)-3-phenylmethoxybutane-1,2,4-triol
CID 10921802
2,4,5,6-tetrahydroxy-3-phenylmethoxyhexanal
CID 561693
3,4-dihydroxy-2-phenylmethoxybutanal
CID 174530051
(2S,3S,4R)-3,5-bis(phenylmethoxy)pentane-1,2,4-triol
CID 101350837
(2R,3R,4S,5R)-6-hydroxy-2,3,4,5-tetrakis(phenylmethoxy)hexanal
CID 54316923
(2R,3S,4S,5R)-2,3,4-tris(phenylmethoxy)hexane-1,5-diol
CID 11048386
3-phenylmethoxypentanedial
CID 154678181
(2S,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-phenylmethoxyhexanal
CID 88598218
(E,2R,3S)-3-phenylmethoxynon-5-ene-1,2,9-triol
CID 100933874
methanol;3-phenylmethoxybutanal
CID 170758415
(2R,3R)-2-phenylmethoxybutane-1,3-diol
CID 130609358

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-5,6-dihydroxy-3,4-bis(phenylmethoxy)hexanal?
The IUPAC name of (3R,4R,5R)-5,6-dihydroxy-3,4-bis(phenylmethoxy)hexanal (CID 87262078) is (3R,4R,5R)-5,6-dihydroxy-3,4-bis(phenylmethoxy)hexanal.
What is the SMILES notation for (3R,4R,5R)-5,6-dihydroxy-3,4-bis(phenylmethoxy)hexanal?
The canonical SMILES for (3R,4R,5R)-5,6-dihydroxy-3,4-bis(phenylmethoxy)hexanal is O=CC[C@@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)CO.
What is the InChIKey of (3R,4R,5R)-5,6-dihydroxy-3,4-bis(phenylmethoxy)hexanal?
The InChIKey is WCXVYRSRVHTPHO-VAMGGRTRSA-N. The full InChI is InChI=1S/C20H24O5/c21-12-11-19(24-14-16-7-3-1-4-8-16)20(18(23)13-22)25-15-17-9-5-2-6-10-17/h1-10,12,18-20,22-23H,11,13-15H2/t18-,19-,20-/m1/s1.
What are the key properties of (3R,4R,5R)-5,6-dihydroxy-3,4-bis(phenylmethoxy)hexanal?
(3R,4R,5R)-5,6-dihydroxy-3,4-bis(phenylmethoxy)hexanal has a molecular weight of 344.41 g/mol, XLogP of 2.10, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-5,6-dihydroxy-3,4-bis(phenylmethoxy)hexanal is sourced from PubChem (CID 87262078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).