(9R,10R)-9,18-dihydroxy-10-methoxyoctadecanoic acid

C19H38O5 — CID 162911871

IUPAC(9R,10R)-9,18-dihydroxy-10-methoxyoctadecanoic acid
SMILESCO[C@H](CCCCCCCCO)[C@H](O)CCCCCCCC(=O)O
InChIInChI=1S/C19H38O5/c1-24-18(14-10-6-2-3-8-12-16-20)17(21)13-9-5-4-7-11-15-19(22)23/h17-18,20-21H,2-16H2,1H3,(H,22,23)/t17-,18-/m1/s1
InChIKeyDRGAKKLILXXLIA-QZTJIDSGSA-N
MW346.51 g/mol
LogP3.90
Rot. Bonds18

About (9R,10R)-9,18-dihydroxy-10-methoxyoctadecanoic acid

(9R,10R)-9,18-dihydroxy-10-methoxyoctadecanoic acid (PubChem CID 162911871) has the molecular formula C19H38O5 and a molecular weight of 346.51 g/mol. Its IUPAC name is (9R,10R)-9,18-dihydroxy-10-methoxyoctadecanoic acid.

Molecular Properties

Compound Name(9R,10R)-9,18-dihydroxy-10-methoxyoctadecanoic acid
PubChem CID162911871
Molecular FormulaC19H38O5
Molecular Weight346.51 g/mol
Exact Mass346.27
IUPAC Name(9R,10R)-9,18-dihydroxy-10-methoxyoctadecanoic acid
SMILESCO[C@H](CCCCCCCCO)[C@H](O)CCCCCCCC(=O)O
InChIInChI=1S/C19H38O5/c1-24-18(14-10-6-2-3-8-12-16-20)17(21)13-9-5-4-7-11-15-19(22)23/h17-18,20-21H,2-16H2,1H3,(H,22,23)/t17-,18-/m1/s1
InChIKeyDRGAKKLILXXLIA-QZTJIDSGSA-N
XLogP3.90
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 9,18-dihydroxy-10-methoxyoctadecanoate
CID 162861022
(9R,10R)-9,10,16-trihydroxyhexadecanoic acid
CID 7060884
(9S,10S)-9,10,16-trihydroxyhexadecanoic acid
CID 7269318
9-[amino(hydroxy)phosphanyl]oxy-10,16-dihydroxyhexadecanoic acid
CID 91398999
(9S)-9,18-dihydroxyoctadecanoic acid
CID 163000133
7,8-dihydroxyhexadecanedioic acid
CID 14556981
3-(1,6-dihydroxyhexyl)dodecanedioic acid
CID 91441769
bis(hexanedioic acid);hexane-1,5-diol
CID 159262275
decanedioic acid;bis(6-methylheptan-1-ol)
CID 175516385
methyl (9R,10R)-9,10,16-trihydroxyhexadecanoate
CID 10687049
ethane;6-hydroxyhexanoic acid
CID 87459132
10-decoxy-9-hydroxyoctadecanoic acid
CID 150670526

Frequently Asked Questions

What is the IUPAC name of (9R,10R)-9,18-dihydroxy-10-methoxyoctadecanoic acid?
The IUPAC name of (9R,10R)-9,18-dihydroxy-10-methoxyoctadecanoic acid (CID 162911871) is (9R,10R)-9,18-dihydroxy-10-methoxyoctadecanoic acid.
What is the SMILES notation for (9R,10R)-9,18-dihydroxy-10-methoxyoctadecanoic acid?
The canonical SMILES for (9R,10R)-9,18-dihydroxy-10-methoxyoctadecanoic acid is CO[C@H](CCCCCCCCO)[C@H](O)CCCCCCCC(=O)O.
What is the InChIKey of (9R,10R)-9,18-dihydroxy-10-methoxyoctadecanoic acid?
The InChIKey is DRGAKKLILXXLIA-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H38O5/c1-24-18(14-10-6-2-3-8-12-16-20)17(21)13-9-5-4-7-11-15-19(22)23/h17-18,20-21H,2-16H2,1H3,(H,22,23)/t17-,18-/m1/s1.
What are the key properties of (9R,10R)-9,18-dihydroxy-10-methoxyoctadecanoic acid?
(9R,10R)-9,18-dihydroxy-10-methoxyoctadecanoic acid has a molecular weight of 346.51 g/mol, XLogP of 3.90, 18 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9R,10R)-9,18-dihydroxy-10-methoxyoctadecanoic acid is sourced from PubChem (CID 162911871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).