2,3,4,5-tetrahydroxypentanethial

C5H10O4S — CID 18533987

IUPAC2,3,4,5-tetrahydroxypentanethial
SMILESOCC(O)C(O)C(O)C=S
InChIInChI=1S/C5H10O4S/c6-1-3(7)5(9)4(8)2-10/h2-9H,1H2
InChIKeyKDKMTIRSYIHSTB-UHFFFAOYSA-N
MW166.20 g/mol
LogP-1.94
Rot. Bonds4

About 2,3,4,5-tetrahydroxypentanethial

2,3,4,5-tetrahydroxypentanethial (PubChem CID 18533987) has the molecular formula C5H10O4S and a molecular weight of 166.20 g/mol. Its IUPAC name is 2,3,4,5-tetrahydroxypentanethial.

Molecular Properties

Compound Name2,3,4,5-tetrahydroxypentanethial
PubChem CID18533987
Molecular FormulaC5H10O4S
Molecular Weight166.20 g/mol
Exact Mass166.03
IUPAC Name2,3,4,5-tetrahydroxypentanethial
SMILESOCC(O)C(O)C(O)C=S
InChIInChI=1S/C5H10O4S/c6-1-3(7)5(9)4(8)2-10/h2-9H,1H2
InChIKeyKDKMTIRSYIHSTB-UHFFFAOYSA-N
XLogP-1.94
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 5-1.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

gold;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanethial
CID 87532917
(2S,3S,4R)-2,3,4,5-tetrahydroxy(113C)pentanal
CID 131883808
(2R,3R,4R)-2,3,4,5-tetrahydroxy(2,3,4,5-13C4)pentanal
CID 87229143
(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 87648240
(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 5311110
(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
CID 139557023
(2S,3S,4S)-2,3,4,5-tetrahydroxy(1,2,3,4,5-13C5)pentanal
CID 155903800
(2R,3R,4R)-2,3,4,5-tetrahydroxy(1,2-13C2)pentanal
CID 101262553
(2R,3R,4R)-6-fluoro-2,3,4-trihydroxyhexanethial
CID 88665279
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydroxypentanethial?
The IUPAC name of 2,3,4,5-tetrahydroxypentanethial (CID 18533987) is 2,3,4,5-tetrahydroxypentanethial.
What is the SMILES notation for 2,3,4,5-tetrahydroxypentanethial?
The canonical SMILES for 2,3,4,5-tetrahydroxypentanethial is OCC(O)C(O)C(O)C=S.
What is the InChIKey of 2,3,4,5-tetrahydroxypentanethial?
The InChIKey is KDKMTIRSYIHSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4S/c6-1-3(7)5(9)4(8)2-10/h2-9H,1H2.
What are the key properties of 2,3,4,5-tetrahydroxypentanethial?
2,3,4,5-tetrahydroxypentanethial has a molecular weight of 166.20 g/mol, XLogP of -1.94, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydroxypentanethial is sourced from PubChem (CID 18533987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).