(3S,4S)-3,4,5-trihydroxypentanal

C5H10O4 — CID 6994526

IUPAC(3S,4S)-3,4,5-trihydroxypentanal
SMILESO=CC[C@H](O)[C@@H](O)CO
InChIInChI=1S/C5H10O4/c6-2-1-4(8)5(9)3-7/h2,4-5,7-9H,1,3H2/t4-,5-/m0/s1
InChIKeyASJSAQIRZKANQN-WHFBIAKZSA-N
MW134.13 g/mol
LogP-1.71
Rot. Bonds4

About (3S,4S)-3,4,5-trihydroxypentanal

(3S,4S)-3,4,5-trihydroxypentanal (PubChem CID 6994526) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is (3S,4S)-3,4,5-trihydroxypentanal.

Molecular Properties

Compound Name(3S,4S)-3,4,5-trihydroxypentanal
PubChem CID6994526
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Name(3S,4S)-3,4,5-trihydroxypentanal
SMILESO=CC[C@H](O)[C@@H](O)CO
InChIInChI=1S/C5H10O4/c6-2-1-4(8)5(9)3-7/h2,4-5,7-9H,1,3H2/t4-,5-/m0/s1
InChIKeyASJSAQIRZKANQN-WHFBIAKZSA-N
XLogP-1.71
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 5-1.71
H-Bond Donors ≤ 53
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
aminophosphonic acid;3,4,5-trihydroxypentanal
CID 174567832
(3R,4R)-3,4-dihydroxyhexanedial
CID 130673483
(3R,4S,5S)-3,4,5,6-tetrahydroxyhexanal
CID 10352022
3-prop-2-enoxyprop-1-ene;3,4,5-trihydroxypentanal
CID 175306562
(3R,4S)-3,4-dihydroxyhexanal
CID 59992906
acetamide;3,4,5,6-tetrahydroxyhexanal
CID 174642001
5-bromo-1H-pyrimidine-2,4-dione;(3S,4R)-3,4,5-trihydroxypentanal
CID 88640439
[(2R,4R,5R)-4,5,6-trihydroxy-1-oxohexan-2-yl] hypoiodite
CID 88710909
(2R,4S,5R)-2-aminooxy-4,5,6-trihydroxyhexanal
CID 88657763
(3R)-3-ethoxy-4,5-dihydroxypentanal
CID 88980061
(2R,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanal;(3R,4S,5R)-3,4,5,6-tetrahydroxyhexanal
CID 157202007

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4,5-trihydroxypentanal?
The IUPAC name of (3S,4S)-3,4,5-trihydroxypentanal (CID 6994526) is (3S,4S)-3,4,5-trihydroxypentanal.
What is the SMILES notation for (3S,4S)-3,4,5-trihydroxypentanal?
The canonical SMILES for (3S,4S)-3,4,5-trihydroxypentanal is O=CC[C@H](O)[C@@H](O)CO.
What is the InChIKey of (3S,4S)-3,4,5-trihydroxypentanal?
The InChIKey is ASJSAQIRZKANQN-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H10O4/c6-2-1-4(8)5(9)3-7/h2,4-5,7-9H,1,3H2/t4-,5-/m0/s1.
What are the key properties of (3S,4S)-3,4,5-trihydroxypentanal?
(3S,4S)-3,4,5-trihydroxypentanal has a molecular weight of 134.13 g/mol, XLogP of -1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4,5-trihydroxypentanal is sourced from PubChem (CID 6994526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).