3,3,4,5-tetrahydroxypentanal

C5H10O5 — CID 142797222

IUPAC3,3,4,5-tetrahydroxypentanal
SMILESO=CCC(O)(O)C(O)CO
InChIInChI=1S/C5H10O5/c6-2-1-5(9,10)4(8)3-7/h2,4,7-10H,1,3H2
InChIKeyPEUIAMNIIFGHKM-UHFFFAOYSA-N
MW150.13 g/mol
LogP-2.39
Rot. Bonds4

About 3,3,4,5-tetrahydroxypentanal

3,3,4,5-tetrahydroxypentanal (PubChem CID 142797222) has the molecular formula C5H10O5 and a molecular weight of 150.13 g/mol. Its IUPAC name is 3,3,4,5-tetrahydroxypentanal.

Molecular Properties

Compound Name3,3,4,5-tetrahydroxypentanal
PubChem CID142797222
Molecular FormulaC5H10O5
Molecular Weight150.13 g/mol
Exact Mass150.05
IUPAC Name3,3,4,5-tetrahydroxypentanal
SMILESO=CCC(O)(O)C(O)CO
InChIInChI=1S/C5H10O5/c6-2-1-5(9,10)4(8)3-7/h2,4,7-10H,1,3H2
InChIKeyPEUIAMNIIFGHKM-UHFFFAOYSA-N
XLogP-2.39
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 5-2.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,3,4,5-tetrahydroxyhexanal
CID 153409795
phosphoric acid;(2R,3R)-2,3,4-trihydroxy-2-methylbutanal
CID 159198824
1,1-diphosphorosopropane-1,2,3-triol
CID 19961049
(3R)-3-amino-2,3,4,5-tetrahydroxypentanal
CID 175181996
(2R,3R,4R,5R)-3-methylhexane-1,2,3,4,5,6-hexol
CID 54330413
1,1-bis(phosphanyl)propane-1,2,3-triol
CID 87738313
(2,3,4-trihydroxy-1-oxobutan-2-yl) acetate
CID 141132329
(4S)-3,3,4,5-tetrahydroxypentan-2-one
CID 102208371
(3S)-3,5-dihydroxy-3-methylpentanal
CID 131159898
(2S,3R)-2-(deuteriomethyl)butane-1,2,3,4-tetrol
CID 87921477
2,3,4,5,6-pentahydroxy-2,4-dimethoxyhexanal
CID 174913015
(2R,3R)-5-deuterio-3-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxypent-4-ynal
CID 169098460

Frequently Asked Questions

What is the IUPAC name of 3,3,4,5-tetrahydroxypentanal?
The IUPAC name of 3,3,4,5-tetrahydroxypentanal (CID 142797222) is 3,3,4,5-tetrahydroxypentanal.
What is the SMILES notation for 3,3,4,5-tetrahydroxypentanal?
The canonical SMILES for 3,3,4,5-tetrahydroxypentanal is O=CCC(O)(O)C(O)CO.
What is the InChIKey of 3,3,4,5-tetrahydroxypentanal?
The InChIKey is PEUIAMNIIFGHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O5/c6-2-1-5(9,10)4(8)3-7/h2,4,7-10H,1,3H2.
What are the key properties of 3,3,4,5-tetrahydroxypentanal?
3,3,4,5-tetrahydroxypentanal has a molecular weight of 150.13 g/mol, XLogP of -2.39, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5-tetrahydroxypentanal is sourced from PubChem (CID 142797222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).