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

C10H20O8 — CID 155345176

IUPAC(3S,4R)-3,4,5-trihydroxypentanal;3,4,5-trihydroxypentanal
SMILESO=CCC(O)C(O)CO.O=CC[C@H](O)[C@H](O)CO
InChIInChI=1S/2C5H10O4/c2*6-2-1-4(8)5(9)3-7/h2*2,4-5,7-9H,1,3H2/t4-,5+;/m0./s1
InChIKeyGTHPEIHLIPRMPG-UYXJWNHNSA-N
MW268.26 g/mol
LogP-3.42
Rot. Bonds8

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

(3S,4R)-3,4,5-trihydroxypentanal;3,4,5-trihydroxypentanal (PubChem CID 155345176) has the molecular formula C10H20O8 and a molecular weight of 268.26 g/mol. Its IUPAC name is (3S,4R)-3,4,5-trihydroxypentanal;3,4,5-trihydroxypentanal.

Molecular Properties

Compound Name(3S,4R)-3,4,5-trihydroxypentanal;3,4,5-trihydroxypentanal
PubChem CID155345176
Molecular FormulaC10H20O8
Molecular Weight268.26 g/mol
Exact Mass268.12
IUPAC Name(3S,4R)-3,4,5-trihydroxypentanal;3,4,5-trihydroxypentanal
SMILESO=CCC(O)C(O)CO.O=CC[C@H](O)[C@H](O)CO
InChIInChI=1S/2C5H10O4/c2*6-2-1-4(8)5(9)3-7/h2*2,4-5,7-9H,1,3H2/t4-,5+;/m0./s1
InChIKeyGTHPEIHLIPRMPG-UYXJWNHNSA-N
XLogP-3.42
TPSA155.52 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.26
LogP ≤ 5-3.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-3,4,5-trihydroxypentanal
CID 6994526
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,4R)-3,4,5-trihydroxypentanal;3,4,5-trihydroxypentanal?
The IUPAC name of (3S,4R)-3,4,5-trihydroxypentanal;3,4,5-trihydroxypentanal (CID 155345176) is (3S,4R)-3,4,5-trihydroxypentanal;3,4,5-trihydroxypentanal.
What is the SMILES notation for (3S,4R)-3,4,5-trihydroxypentanal;3,4,5-trihydroxypentanal?
The canonical SMILES for (3S,4R)-3,4,5-trihydroxypentanal;3,4,5-trihydroxypentanal is O=CCC(O)C(O)CO.O=CC[C@H](O)[C@H](O)CO.
What is the InChIKey of (3S,4R)-3,4,5-trihydroxypentanal;3,4,5-trihydroxypentanal?
The InChIKey is GTHPEIHLIPRMPG-UYXJWNHNSA-N. The full InChI is InChI=1S/2C5H10O4/c2*6-2-1-4(8)5(9)3-7/h2*2,4-5,7-9H,1,3H2/t4-,5+;/m0./s1.
What are the key properties of (3S,4R)-3,4,5-trihydroxypentanal;3,4,5-trihydroxypentanal?
(3S,4R)-3,4,5-trihydroxypentanal;3,4,5-trihydroxypentanal has a molecular weight of 268.26 g/mol, XLogP of -3.42, 8 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,4,5-trihydroxypentanal;3,4,5-trihydroxypentanal is sourced from PubChem (CID 155345176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).