10-hydroxy-9-phosphonooxyoctadecanoic acid

C18H37O7P — CID 74089767

IUPAC10-hydroxy-9-phosphonooxyoctadecanoic acid
SMILESCCCCCCCCC(O)C(CCCCCCCC(=O)O)OP(=O)(O)O
InChIInChI=1S/C18H37O7P/c1-2-3-4-5-7-10-13-16(19)17(25-26(22,23)24)14-11-8-6-9-12-15-18(20)21/h16-17,19H,2-15H2,1H3,(H,20,21)(H2,22,23,24)
InChIKeyUELBXEKQONEDKM-UHFFFAOYSA-N
MW396.46 g/mol
LogP4.39
Rot. Bonds18

About 10-hydroxy-9-phosphonooxyoctadecanoic acid

10-hydroxy-9-phosphonooxyoctadecanoic acid (PubChem CID 74089767) has the molecular formula C18H37O7P and a molecular weight of 396.46 g/mol. Its IUPAC name is 10-hydroxy-9-phosphonooxyoctadecanoic acid.

Molecular Properties

Compound Name10-hydroxy-9-phosphonooxyoctadecanoic acid
PubChem CID74089767
Molecular FormulaC18H37O7P
Molecular Weight396.46 g/mol
Exact Mass396.23
IUPAC Name10-hydroxy-9-phosphonooxyoctadecanoic acid
SMILESCCCCCCCCC(O)C(CCCCCCCC(=O)O)OP(=O)(O)O
InChIInChI=1S/C18H37O7P/c1-2-3-4-5-7-10-13-16(19)17(25-26(22,23)24)14-11-8-6-9-12-15-18(20)21/h16-17,19H,2-15H2,1H3,(H,20,21)(H2,22,23,24)
InChIKeyUELBXEKQONEDKM-UHFFFAOYSA-N
XLogP4.39
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 54.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(9S,10S)-9-acetyloxy-10-hydroxyoctadecanoic acid
CID 98092713
10-decoxy-9-hydroxyoctadecanoic acid
CID 150670526
(7S,8S)-7,8-dihydroxytetradecanoic acid
CID 101332605
5,6-dihydroxyoctadecanoic acid
CID 5282926
(9S,10S)-9-chloro-10-hydroxyoctadecanoic acid
CID 122201337
(9R,10S)-10-chloro-9-hydroxyoctadecanoic acid
CID 121231139
10-chloro-9-hydroxyoctadecanoic acid
CID 3014115
6-(10-hydroxy-1-methoxy-1-oxooctadecan-9-yl)oxy-6-oxohexanoic acid
CID 166582005
5-(1,3-dihydroxynonadecan-2-yloxy)pentanoic acid
CID 87317009
9-(1-ethoxy-10-hydroxy-1-oxooctadecan-9-yl)oxy-9-oxononanoic acid
CID 166582249
octadecanoic acid;phosphoric acid
CID 160712069
octanoic acid;tridecane-1,2,3-triol
CID 162007847

Frequently Asked Questions

What is the IUPAC name of 10-hydroxy-9-phosphonooxyoctadecanoic acid?
The IUPAC name of 10-hydroxy-9-phosphonooxyoctadecanoic acid (CID 74089767) is 10-hydroxy-9-phosphonooxyoctadecanoic acid.
What is the SMILES notation for 10-hydroxy-9-phosphonooxyoctadecanoic acid?
The canonical SMILES for 10-hydroxy-9-phosphonooxyoctadecanoic acid is CCCCCCCCC(O)C(CCCCCCCC(=O)O)OP(=O)(O)O.
What is the InChIKey of 10-hydroxy-9-phosphonooxyoctadecanoic acid?
The InChIKey is UELBXEKQONEDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37O7P/c1-2-3-4-5-7-10-13-16(19)17(25-26(22,23)24)14-11-8-6-9-12-15-18(20)21/h16-17,19H,2-15H2,1H3,(H,20,21)(H2,22,23,24).
What are the key properties of 10-hydroxy-9-phosphonooxyoctadecanoic acid?
10-hydroxy-9-phosphonooxyoctadecanoic acid has a molecular weight of 396.46 g/mol, XLogP of 4.39, 18 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxy-9-phosphonooxyoctadecanoic acid is sourced from PubChem (CID 74089767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).