ethanol;3,4,5-trihydroxypentanoic acid

C7H16O6 — CID 87968346

IUPACethanol;3,4,5-trihydroxypentanoic acid
SMILESCCO.O=C(O)CC(O)C(O)CO
InChIInChI=1S/C5H10O5.C2H6O/c6-2-4(8)3(7)1-5(9)10;1-2-3/h3-4,6-8H,1-2H2,(H,9,10);3H,2H2,1H3
InChIKeyKRHLMROTUZWKAB-UHFFFAOYSA-N
MW196.20 g/mol
LogP-1.83
Rot. Bonds4

About ethanol;3,4,5-trihydroxypentanoic acid

ethanol;3,4,5-trihydroxypentanoic acid (PubChem CID 87968346) has the molecular formula C7H16O6 and a molecular weight of 196.20 g/mol. Its IUPAC name is ethanol;3,4,5-trihydroxypentanoic acid.

Molecular Properties

Compound Nameethanol;3,4,5-trihydroxypentanoic acid
PubChem CID87968346
Molecular FormulaC7H16O6
Molecular Weight196.20 g/mol
Exact Mass196.09
IUPAC Nameethanol;3,4,5-trihydroxypentanoic acid
SMILESCCO.O=C(O)CC(O)C(O)CO
InChIInChI=1S/C5H10O5.C2H6O/c6-2-4(8)3(7)1-5(9)10;1-2-3/h3-4,6-8H,1-2H2,(H,9,10);3H,2H2,1H3
InChIKeyKRHLMROTUZWKAB-UHFFFAOYSA-N
XLogP-1.83
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 5-1.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-3-carboxy-1,2-dihydroxypropyl]-trimethylazanium
CID 87296299
pentakis((2S,3R)-butane-1,2,3,4-tetrol);propanethioic S-acid
CID 158007450
3,4-dihydroxypentadecanoic acid
CID 22348655
(3S)-2-ethyl-3-hydroxypentanedioic acid
CID 87322226
butane;butane-1,2,3,4-tetrol
CID 155273073
(3S,4S,5R,6S,7R)-4-acetamido-3,5,6,7,8-pentahydroxyoctanoic acid
CID 101270334
butanoic acid;(2R,4S)-pentane-1,2,3,4,5-pentol
CID 87746367
butanoic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 122613100
(2S,3S)-pentane-1,2,3-triol
CID 11636797
pentane-1,2,3-triol
CID 547785
(3S,4S)-4-amino-3-hydroxyheptanoic acid
CID 14753776
acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 155668282

Frequently Asked Questions

What is the IUPAC name of ethanol;3,4,5-trihydroxypentanoic acid?
The IUPAC name of ethanol;3,4,5-trihydroxypentanoic acid (CID 87968346) is ethanol;3,4,5-trihydroxypentanoic acid.
What is the SMILES notation for ethanol;3,4,5-trihydroxypentanoic acid?
The canonical SMILES for ethanol;3,4,5-trihydroxypentanoic acid is CCO.O=C(O)CC(O)C(O)CO.
What is the InChIKey of ethanol;3,4,5-trihydroxypentanoic acid?
The InChIKey is KRHLMROTUZWKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O5.C2H6O/c6-2-4(8)3(7)1-5(9)10;1-2-3/h3-4,6-8H,1-2H2,(H,9,10);3H,2H2,1H3.
What are the key properties of ethanol;3,4,5-trihydroxypentanoic acid?
ethanol;3,4,5-trihydroxypentanoic acid has a molecular weight of 196.20 g/mol, XLogP of -1.83, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;3,4,5-trihydroxypentanoic acid is sourced from PubChem (CID 87968346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).