(3R,4S,5S)-3,4,5,6-tetrahydroxyhexanal

C6H12O5 — CID 10352022

IUPAC(3R,4S,5S)-3,4,5,6-tetrahydroxyhexanal
SMILESO=CC[C@@H](O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5+,6+/m1/s1
InChIKeyVRYALKFFQXWPIH-SRQIZXRXSA-N
MW164.16 g/mol
LogP-2.35
Rot. Bonds5

About (3R,4S,5S)-3,4,5,6-tetrahydroxyhexanal

(3R,4S,5S)-3,4,5,6-tetrahydroxyhexanal (PubChem CID 10352022) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is (3R,4S,5S)-3,4,5,6-tetrahydroxyhexanal.

Molecular Properties

Compound Name(3R,4S,5S)-3,4,5,6-tetrahydroxyhexanal
PubChem CID10352022
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name(3R,4S,5S)-3,4,5,6-tetrahydroxyhexanal
SMILESO=CC[C@@H](O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5+,6+/m1/s1
InChIKeyVRYALKFFQXWPIH-SRQIZXRXSA-N
XLogP-2.35
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-2.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

acetamide;3,4,5,6-tetrahydroxyhexanal
CID 174642001
(3S,4R)-3,4,5-trihydroxypentanal;3,4,5-trihydroxypentanal
CID 155345176
(3S,4S)-3,4,5-trihydroxypentanal
CID 6994526
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal;(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal
CID 157202007
bis(2-amino-3-sulfanylpropanoic acid);3,4,5,6-tetrahydroxyhexanal
CID 174424241
(3R,4R)-3,4-dihydroxyhexanedial
CID 130673483
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085
(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-tritiohexanal
CID 131878572
formic acid;hexane-1,2,3,4,5,6-hexol
CID 139544091
aminophosphonic acid;3,4,5-trihydroxypentanal
CID 174567832
(2R,4R)-pentane-1,2,3,4,5-pentol;hydrochloride
CID 158818739
pentane-1,2,3,4,5-pentol;dihydrochloride
CID 175842943

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-3,4,5,6-tetrahydroxyhexanal?
The IUPAC name of (3R,4S,5S)-3,4,5,6-tetrahydroxyhexanal (CID 10352022) is (3R,4S,5S)-3,4,5,6-tetrahydroxyhexanal.
What is the SMILES notation for (3R,4S,5S)-3,4,5,6-tetrahydroxyhexanal?
The canonical SMILES for (3R,4S,5S)-3,4,5,6-tetrahydroxyhexanal is O=CC[C@@H](O)[C@H](O)[C@@H](O)CO.
What is the InChIKey of (3R,4S,5S)-3,4,5,6-tetrahydroxyhexanal?
The InChIKey is VRYALKFFQXWPIH-SRQIZXRXSA-N. The full InChI is InChI=1S/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5+,6+/m1/s1.
What are the key properties of (3R,4S,5S)-3,4,5,6-tetrahydroxyhexanal?
(3R,4S,5S)-3,4,5,6-tetrahydroxyhexanal has a molecular weight of 164.16 g/mol, XLogP of -2.35, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-3,4,5,6-tetrahydroxyhexanal is sourced from PubChem (CID 10352022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).