(3R,4R)-2,3,4,5,6-pentahydroxyhexanal

C6H12O6 — CID 130245293

IUPAC(3R,4R)-2,3,4,5,6-pentahydroxyhexanal
SMILESO=CC(O)[C@H](O)[C@H](O)C(O)CO
InChIInChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3?,4?,5-,6+/m0/s1
InChIKeyGZCGUPFRVQAUEE-QGLADZMWSA-N
MW180.16 g/mol
LogP-3.38
Rot. Bonds5

About (3R,4R)-2,3,4,5,6-pentahydroxyhexanal

(3R,4R)-2,3,4,5,6-pentahydroxyhexanal (PubChem CID 130245293) has the molecular formula C6H12O6 and a molecular weight of 180.16 g/mol. Its IUPAC name is (3R,4R)-2,3,4,5,6-pentahydroxyhexanal.

Molecular Properties

Compound Name(3R,4R)-2,3,4,5,6-pentahydroxyhexanal
PubChem CID130245293
Molecular FormulaC6H12O6
Molecular Weight180.16 g/mol
Exact Mass180.06
IUPAC Name(3R,4R)-2,3,4,5,6-pentahydroxyhexanal
SMILESO=CC(O)[C@H](O)[C@H](O)C(O)CO
InChIInChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3?,4?,5-,6+/m0/s1
InChIKeyGZCGUPFRVQAUEE-QGLADZMWSA-N
XLogP-3.38
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-3.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87227969
(2S)-2,3,4,5,6-pentahydroxyhexanal
CID 89242343
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87772987
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 3037556
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 86597567
2,3,4,5,6-pentahydroxyhexanal;hydrobromide
CID 174381497
(2R,3S,4S,5R,6R,7R,8R)-2,3,4,5,6,7,8,9-octahydroxynonanal
CID 87088979
methane;(2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanal
CID 175873385
2,3,4,5,6-pentahydroxyhexanal;trihydrate
CID 174605740
alumane;2,3,4,5,6-pentahydroxyhexanal
CID 174945571
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;bis((2R,3S,4R)-2,3,4,5-tetrahydroxypentanal)
CID 57347809
2,3,4,5,6-pentahydroxyhexanal;silver
CID 174703669

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2,3,4,5,6-pentahydroxyhexanal?
The IUPAC name of (3R,4R)-2,3,4,5,6-pentahydroxyhexanal (CID 130245293) is (3R,4R)-2,3,4,5,6-pentahydroxyhexanal.
What is the SMILES notation for (3R,4R)-2,3,4,5,6-pentahydroxyhexanal?
The canonical SMILES for (3R,4R)-2,3,4,5,6-pentahydroxyhexanal is O=CC(O)[C@H](O)[C@H](O)C(O)CO.
What is the InChIKey of (3R,4R)-2,3,4,5,6-pentahydroxyhexanal?
The InChIKey is GZCGUPFRVQAUEE-QGLADZMWSA-N. The full InChI is InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3?,4?,5-,6+/m0/s1.
What are the key properties of (3R,4R)-2,3,4,5,6-pentahydroxyhexanal?
(3R,4R)-2,3,4,5,6-pentahydroxyhexanal has a molecular weight of 180.16 g/mol, XLogP of -3.38, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2,3,4,5,6-pentahydroxyhexanal is sourced from PubChem (CID 130245293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).