(3R,4R)-3,4-dihydroxyhexanedial

C6H10O4 — CID 130673483

IUPAC(3R,4R)-3,4-dihydroxyhexanedial
SMILESO=CC[C@@H](O)[C@H](O)CC=O
InChIInChI=1S/C6H10O4/c7-3-1-5(9)6(10)2-4-8/h3-6,9-10H,1-2H2/t5-,6-/m1/s1
InChIKeyXGGICEABWJTRSW-PHDIDXHHSA-N
MW146.14 g/mol
LogP-1.11
Rot. Bonds5

About (3R,4R)-3,4-dihydroxyhexanedial

(3R,4R)-3,4-dihydroxyhexanedial (PubChem CID 130673483) has the molecular formula C6H10O4 and a molecular weight of 146.14 g/mol. Its IUPAC name is (3R,4R)-3,4-dihydroxyhexanedial.

Molecular Properties

Compound Name(3R,4R)-3,4-dihydroxyhexanedial
PubChem CID130673483
Molecular FormulaC6H10O4
Molecular Weight146.14 g/mol
Exact Mass146.06
IUPAC Name(3R,4R)-3,4-dihydroxyhexanedial
SMILESO=CC[C@@H](O)[C@H](O)CC=O
InChIInChI=1S/C6H10O4/c7-3-1-5(9)6(10)2-4-8/h3-6,9-10H,1-2H2/t5-,6-/m1/s1
InChIKeyXGGICEABWJTRSW-PHDIDXHHSA-N
XLogP-1.11
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R)-3,4,5-trihydroxypentanal;3,4,5-trihydroxypentanal
CID 155345176
(3S,4S)-3,4,5-trihydroxypentanal
CID 6994526
(3R,4S)-3,4-dihydroxyhexanal
CID 59992906
aminophosphonic acid;3,4,5-trihydroxypentanal
CID 174567832
(3R,4S,5S)-3,4,5,6-tetrahydroxyhexanal
CID 10352022
3-prop-2-enoxyprop-1-ene;3,4,5-trihydroxypentanal
CID 175306562
3-hydroxy-4,8-dimethylnonanal
CID 87291569
3-hydroxyhex-4-ynal
CID 91461198
5-hydroxy-3,6-dimethylheptanal
CID 91437635
acetamide;3,4,5,6-tetrahydroxyhexanal
CID 174642001
(1,2,3-trihydroxy-5-oxopentyl) dihydrogen phosphate
CID 141060284
(3S)-3-hydroxy-3-(methylamino)propanal
CID 174657430

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-dihydroxyhexanedial?
The IUPAC name of (3R,4R)-3,4-dihydroxyhexanedial (CID 130673483) is (3R,4R)-3,4-dihydroxyhexanedial.
What is the SMILES notation for (3R,4R)-3,4-dihydroxyhexanedial?
The canonical SMILES for (3R,4R)-3,4-dihydroxyhexanedial is O=CC[C@@H](O)[C@H](O)CC=O.
What is the InChIKey of (3R,4R)-3,4-dihydroxyhexanedial?
The InChIKey is XGGICEABWJTRSW-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H10O4/c7-3-1-5(9)6(10)2-4-8/h3-6,9-10H,1-2H2/t5-,6-/m1/s1.
What are the key properties of (3R,4R)-3,4-dihydroxyhexanedial?
(3R,4R)-3,4-dihydroxyhexanedial has a molecular weight of 146.14 g/mol, XLogP of -1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-dihydroxyhexanedial is sourced from PubChem (CID 130673483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).