(2R,3R,4S)-2,3,4,5-tetrahydroxyhexanal

C6H12O5 — CID 10855815

IUPAC(2R,3R,4S)-2,3,4,5-tetrahydroxyhexanal
SMILESCC(O)[C@H](O)[C@@H](O)[C@@H](O)C=O
InChIInChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3?,4-,5-,6-/m0/s1
InChIKeyPNNNRSAQSRJVSB-KUZWUUJSSA-N
MW164.16 g/mol
LogP-2.35
Rot. Bonds4

About (2R,3R,4S)-2,3,4,5-tetrahydroxyhexanal

(2R,3R,4S)-2,3,4,5-tetrahydroxyhexanal (PubChem CID 10855815) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is (2R,3R,4S)-2,3,4,5-tetrahydroxyhexanal.

Molecular Properties

Compound Name(2R,3R,4S)-2,3,4,5-tetrahydroxyhexanal
PubChem CID10855815
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name(2R,3R,4S)-2,3,4,5-tetrahydroxyhexanal
SMILESCC(O)[C@H](O)[C@@H](O)[C@@H](O)C=O
InChIInChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3?,4-,5-,6-/m0/s1
InChIKeyPNNNRSAQSRJVSB-KUZWUUJSSA-N
XLogP-2.35
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
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'}

Analyze (2R,3R,4S)-2,3,4,5-tetrahydroxyhexanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2,3,4,5-tetrahydroxyhexanal
CID 71774580
(2R,3R,4R,5R)-2,3,4,5-tetrahydroxyhexanal
CID 6453351
(2S,3R,4R,5S)-2,3,4,5-tetrahydroxy(1,2,3,4,5,6-13C6)hexanal
CID 131953208
ethane;2,3,4,5-tetrahydroxyhexanal
CID 174774074
(2S,3R,4R,5S)-2,3,4,5-tetrahydroxyhexanal azide
CID 89407664
2-oxopropanoic acid;(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal
CID 157349570
(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 87725092
azane;nitric acid;2,3,4,5-tetrahydroxyhexanal
CID 174863024
prop-2-enamide;(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal
CID 87645178
furan;2,3,4,5-tetrahydroxyhexanal
CID 174834063
(2S)-2-amino-3-methylbutanoic acid;(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal
CID 87877287
ethanol;propane-1,2,3-triol;(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 163871444

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-2,3,4,5-tetrahydroxyhexanal?
The IUPAC name of (2R,3R,4S)-2,3,4,5-tetrahydroxyhexanal (CID 10855815) is (2R,3R,4S)-2,3,4,5-tetrahydroxyhexanal.
What is the SMILES notation for (2R,3R,4S)-2,3,4,5-tetrahydroxyhexanal?
The canonical SMILES for (2R,3R,4S)-2,3,4,5-tetrahydroxyhexanal is CC(O)[C@H](O)[C@@H](O)[C@@H](O)C=O.
What is the InChIKey of (2R,3R,4S)-2,3,4,5-tetrahydroxyhexanal?
The InChIKey is PNNNRSAQSRJVSB-KUZWUUJSSA-N. The full InChI is InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3?,4-,5-,6-/m0/s1.
What are the key properties of (2R,3R,4S)-2,3,4,5-tetrahydroxyhexanal?
(2R,3R,4S)-2,3,4,5-tetrahydroxyhexanal has a molecular weight of 164.16 g/mol, XLogP of -2.35, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2,3,4,5-tetrahydroxyhexanal is sourced from PubChem (CID 10855815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).