2,2,3-trihydroxybutanoic acid;2,2,3-trihydroxypentanoic acid

C9H18O10 — CID 175114056

IUPAC2,2,3-trihydroxybutanoic acid;2,2,3-trihydroxypentanoic acid
SMILESCC(O)C(O)(O)C(=O)O.CCC(O)C(O)(O)C(=O)O
InChIInChI=1S/C5H10O5.C4H8O5/c1-2-3(6)5(9,10)4(7)8;1-2(5)4(8,9)3(6)7/h3,6,9-10H,2H2,1H3,(H,7,8);2,5,8-9H,1H3,(H,6,7)
InChIKeySCKHORHAVFEUMX-UHFFFAOYSA-N
MW286.23 g/mol
LogP-3.34
Rot. Bonds5

About 2,2,3-trihydroxybutanoic acid;2,2,3-trihydroxypentanoic acid

2,2,3-trihydroxybutanoic acid;2,2,3-trihydroxypentanoic acid (PubChem CID 175114056) has the molecular formula C9H18O10 and a molecular weight of 286.23 g/mol. Its IUPAC name is 2,2,3-trihydroxybutanoic acid;2,2,3-trihydroxypentanoic acid.

Molecular Properties

Compound Name2,2,3-trihydroxybutanoic acid;2,2,3-trihydroxypentanoic acid
PubChem CID175114056
Molecular FormulaC9H18O10
Molecular Weight286.23 g/mol
Exact Mass286.09
IUPAC Name2,2,3-trihydroxybutanoic acid;2,2,3-trihydroxypentanoic acid
SMILESCC(O)C(O)(O)C(=O)O.CCC(O)C(O)(O)C(=O)O
InChIInChI=1S/C5H10O5.C4H8O5/c1-2-3(6)5(9,10)4(7)8;1-2(5)4(8,9)3(6)7/h3,6,9-10H,2H2,1H3,(H,7,8);2,5,8-9H,1H3,(H,6,7)
InChIKeySCKHORHAVFEUMX-UHFFFAOYSA-N
XLogP-3.34
TPSA195.98 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.23
LogP ≤ 5-3.34
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trihydroxybutanoic acid;2,2,3-trihydroxypentanoic acid?
The IUPAC name of 2,2,3-trihydroxybutanoic acid;2,2,3-trihydroxypentanoic acid (CID 175114056) is 2,2,3-trihydroxybutanoic acid;2,2,3-trihydroxypentanoic acid.
What is the SMILES notation for 2,2,3-trihydroxybutanoic acid;2,2,3-trihydroxypentanoic acid?
The canonical SMILES for 2,2,3-trihydroxybutanoic acid;2,2,3-trihydroxypentanoic acid is CC(O)C(O)(O)C(=O)O.CCC(O)C(O)(O)C(=O)O.
What is the InChIKey of 2,2,3-trihydroxybutanoic acid;2,2,3-trihydroxypentanoic acid?
The InChIKey is SCKHORHAVFEUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O5.C4H8O5/c1-2-3(6)5(9,10)4(7)8;1-2(5)4(8,9)3(6)7/h3,6,9-10H,2H2,1H3,(H,7,8);2,5,8-9H,1H3,(H,6,7).
What are the key properties of 2,2,3-trihydroxybutanoic acid;2,2,3-trihydroxypentanoic acid?
2,2,3-trihydroxybutanoic acid;2,2,3-trihydroxypentanoic acid has a molecular weight of 286.23 g/mol, XLogP of -3.34, 5 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trihydroxybutanoic acid;2,2,3-trihydroxypentanoic acid is sourced from PubChem (CID 175114056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).