4,7,10-trihydroxytridecanedioic acid

C13H24O7 — CID 174508120

IUPAC4,7,10-trihydroxytridecanedioic acid
SMILESO=C(O)CCC(O)CCC(O)CCC(O)CCC(=O)O
InChIInChI=1S/C13H24O7/c14-9(1-3-10(15)5-7-12(17)18)2-4-11(16)6-8-13(19)20/h9-11,14-16H,1-8H2,(H,17,18)(H,19,20)
InChIKeyASDDHGMNGPTQBZ-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.36
Rot. Bonds12

About 4,7,10-trihydroxytridecanedioic acid

4,7,10-trihydroxytridecanedioic acid (PubChem CID 174508120) has the molecular formula C13H24O7 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4,7,10-trihydroxytridecanedioic acid.

Molecular Properties

Compound Name4,7,10-trihydroxytridecanedioic acid
PubChem CID174508120
Molecular FormulaC13H24O7
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC Name4,7,10-trihydroxytridecanedioic acid
SMILESO=C(O)CCC(O)CCC(O)CCC(O)CCC(=O)O
InChIInChI=1S/C13H24O7/c14-9(1-3-10(15)5-7-12(17)18)2-4-11(16)6-8-13(19)20/h9-11,14-16H,1-8H2,(H,17,18)(H,19,20)
InChIKeyASDDHGMNGPTQBZ-UHFFFAOYSA-N
XLogP0.36
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(4R,7R)-4,7-dihydroxyoctanoic acid
CID 90401423
4-hydroxy-5-sulfanylpentanoic acid
CID 22119508
(4S)-4-hydroxyhexanoic acid
CID 14057564
4-hydroxyoctanoic acid
CID 159216758
4,12-dihydroxydodecanoic acid
CID 90020174
4-hydroxyhexadecanoic acid
CID 5282904
(4S,12S)-4,12-dihydroxypentadecanoic acid
CID 163083389
4,6-dihydroxyoctanoic acid
CID 137380619
4-hydroxyhept-6-ynoic acid
CID 55299360
4-hydroxy-6-nitroso-6-oxohexanoic acid
CID 89031584
4-chloro-4-hydroxybutanoic acid
CID 87098344
5-hydroxytridecanedioic acid
CID 139805426

Frequently Asked Questions

What is the IUPAC name of 4,7,10-trihydroxytridecanedioic acid?
The IUPAC name of 4,7,10-trihydroxytridecanedioic acid (CID 174508120) is 4,7,10-trihydroxytridecanedioic acid.
What is the SMILES notation for 4,7,10-trihydroxytridecanedioic acid?
The canonical SMILES for 4,7,10-trihydroxytridecanedioic acid is O=C(O)CCC(O)CCC(O)CCC(O)CCC(=O)O.
What is the InChIKey of 4,7,10-trihydroxytridecanedioic acid?
The InChIKey is ASDDHGMNGPTQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O7/c14-9(1-3-10(15)5-7-12(17)18)2-4-11(16)6-8-13(19)20/h9-11,14-16H,1-8H2,(H,17,18)(H,19,20).
What are the key properties of 4,7,10-trihydroxytridecanedioic acid?
4,7,10-trihydroxytridecanedioic acid has a molecular weight of 292.33 g/mol, XLogP of 0.36, 12 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,10-trihydroxytridecanedioic acid is sourced from PubChem (CID 174508120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).