(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-butanoyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid

C16H24O10 — CID 153317777

IUPAC(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-butanoyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid
SMILESCCCC(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)O
InChIInChI=1S/C16H24O10/c1-6-7-12(17)23-9(3)14(20)25-11(5)16(22)26-10(4)15(21)24-8(2)13(18)19/h8-11H,6-7H2,1-5H3,(H,18,19)/t8-,9-,10-,11-/m0/s1
InChIKeyGTQMBSKLWWAGEM-NAKRPEOUSA-N
MW376.36 g/mol
LogP0.60
Rot. Bonds10

About (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-butanoyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-butanoyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid (PubChem CID 153317777) has the molecular formula C16H24O10 and a molecular weight of 376.36 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-butanoyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-butanoyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid
PubChem CID153317777
Molecular FormulaC16H24O10
Molecular Weight376.36 g/mol
Exact Mass376.14
IUPAC Name(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-butanoyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid
SMILESCCCC(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)O
InChIInChI=1S/C16H24O10/c1-6-7-12(17)23-9(3)14(20)25-11(5)16(22)26-10(4)15(21)24-8(2)13(18)19/h8-11H,6-7H2,1-5H3,(H,18,19)/t8-,9-,10-,11-/m0/s1
InChIKeyGTQMBSKLWWAGEM-NAKRPEOUSA-N
XLogP0.60
TPSA142.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-butanoyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid?
The IUPAC name of (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-butanoyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid (CID 153317777) is (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-butanoyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid.
What is the SMILES notation for (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-butanoyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid?
The canonical SMILES for (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-butanoyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid is CCCC(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-butanoyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid?
The InChIKey is GTQMBSKLWWAGEM-NAKRPEOUSA-N. The full InChI is InChI=1S/C16H24O10/c1-6-7-12(17)23-9(3)14(20)25-11(5)16(22)26-10(4)15(21)24-8(2)13(18)19/h8-11H,6-7H2,1-5H3,(H,18,19)/t8-,9-,10-,11-/m0/s1.
What are the key properties of (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-butanoyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid?
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-butanoyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid has a molecular weight of 376.36 g/mol, XLogP of 0.60, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-butanoyloxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid is sourced from PubChem (CID 153317777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).