(4R,7R)-4,7-dihydroxyoctanoic acid

C8H16O4 — CID 90401423

IUPAC(4R,7R)-4,7-dihydroxyoctanoic acid
SMILESC[C@@H](O)CC[C@@H](O)CCC(=O)O
InChIInChI=1S/C8H16O4/c1-6(9)2-3-7(10)4-5-8(11)12/h6-7,9-10H,2-5H2,1H3,(H,11,12)/t6-,7-/m1/s1
InChIKeyAWGJZHDUIWLGAQ-RNFRBKRXSA-N
MW176.21 g/mol
LogP0.37
Rot. Bonds6

About (4R,7R)-4,7-dihydroxyoctanoic acid

(4R,7R)-4,7-dihydroxyoctanoic acid (PubChem CID 90401423) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is (4R,7R)-4,7-dihydroxyoctanoic acid.

Molecular Properties

Compound Name(4R,7R)-4,7-dihydroxyoctanoic acid
PubChem CID90401423
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(4R,7R)-4,7-dihydroxyoctanoic acid
SMILESC[C@@H](O)CC[C@@H](O)CCC(=O)O
InChIInChI=1S/C8H16O4/c1-6(9)2-3-7(10)4-5-8(11)12/h6-7,9-10H,2-5H2,1H3,(H,11,12)/t6-,7-/m1/s1
InChIKeyAWGJZHDUIWLGAQ-RNFRBKRXSA-N
XLogP0.37
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4,7,10-trihydroxytridecanedioic acid
CID 174508120
hexanedioic acid;hexane-2,5-diol
CID 160536258
pentadecane-2,5,8,11,14-pentol
CID 175190041
(4S)-4-hydroxyhexanoic acid
CID 14057564
4-hydroxyoctanoic acid
CID 159216758
butane-1,3-diol;bis(4-sulfanylpentanoic acid)
CID 87924674
5-hydroxy-2-methylhexanoic acid
CID 19873756
acetic acid;hexane-2,5-diol
CID 71365730
20-hydroxyhenicosanoic acid
CID 19591814
19-hydroxyicosanoic acid
CID 14535566
4-hydroxyhexadecanoic acid
CID 5282904
(4S,12S)-4,12-dihydroxypentadecanoic acid
CID 163083389

Frequently Asked Questions

What is the IUPAC name of (4R,7R)-4,7-dihydroxyoctanoic acid?
The IUPAC name of (4R,7R)-4,7-dihydroxyoctanoic acid (CID 90401423) is (4R,7R)-4,7-dihydroxyoctanoic acid.
What is the SMILES notation for (4R,7R)-4,7-dihydroxyoctanoic acid?
The canonical SMILES for (4R,7R)-4,7-dihydroxyoctanoic acid is C[C@@H](O)CC[C@@H](O)CCC(=O)O.
What is the InChIKey of (4R,7R)-4,7-dihydroxyoctanoic acid?
The InChIKey is AWGJZHDUIWLGAQ-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H16O4/c1-6(9)2-3-7(10)4-5-8(11)12/h6-7,9-10H,2-5H2,1H3,(H,11,12)/t6-,7-/m1/s1.
What are the key properties of (4R,7R)-4,7-dihydroxyoctanoic acid?
(4R,7R)-4,7-dihydroxyoctanoic acid has a molecular weight of 176.21 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7R)-4,7-dihydroxyoctanoic acid is sourced from PubChem (CID 90401423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).