(2S)-2-hydroxytricosanoyl iodide

C23H45IO2 — CID 98117445

IUPAC(2S)-2-hydroxytricosanoyl iodide
SMILESCCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)I
InChIInChI=1S/C23H45IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(25)23(24)26/h22,25H,2-21H2,1H3/t22-/m0/s1
InChIKeyBMSIXFZFFSFTSA-QFIPXVFZSA-N
MW480.52 g/mol
LogP8.13
Rot. Bonds21

About (2S)-2-hydroxytricosanoyl iodide

(2S)-2-hydroxytricosanoyl iodide (PubChem CID 98117445) has the molecular formula C23H45IO2 and a molecular weight of 480.52 g/mol. Its IUPAC name is (2S)-2-hydroxytricosanoyl iodide.

Molecular Properties

Compound Name(2S)-2-hydroxytricosanoyl iodide
PubChem CID98117445
Molecular FormulaC23H45IO2
Molecular Weight480.52 g/mol
Exact Mass480.25
IUPAC Name(2S)-2-hydroxytricosanoyl iodide
SMILESCCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)I
InChIInChI=1S/C23H45IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(25)23(24)26/h22,25H,2-21H2,1H3/t22-/m0/s1
InChIKeyBMSIXFZFFSFTSA-QFIPXVFZSA-N
XLogP8.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.52
LogP ≤ 58.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxydecanoic acid
CID 161255514
(2R)-2-hydroxydecanoic acid
CID 13144006
2-hydroxytridecanoic acid
CID 5282901
2-hydroxyoctadecanoic acid
CID 87724091
3-hydroxydecan-2-one
CID 12524096
2-hydroxyoctadecanamide
CID 14598043
2-hydroxydocosanoate
CID 22361325
2-hydroxytetradecanoic acid;titanium
CID 174290276
(2S)-2-hydroxyoctadecanoate
CID 21145041
2-hydroxyheptanoic acid
CID 2750949
(9S)-9-hydroxyhexadecan-8-one
CID 97045447
azanium 2-hydroxydodecanoate
CID 139935066

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxytricosanoyl iodide?
The IUPAC name of (2S)-2-hydroxytricosanoyl iodide (CID 98117445) is (2S)-2-hydroxytricosanoyl iodide.
What is the SMILES notation for (2S)-2-hydroxytricosanoyl iodide?
The canonical SMILES for (2S)-2-hydroxytricosanoyl iodide is CCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)I.
What is the InChIKey of (2S)-2-hydroxytricosanoyl iodide?
The InChIKey is BMSIXFZFFSFTSA-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H45IO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(25)23(24)26/h22,25H,2-21H2,1H3/t22-/m0/s1.
What are the key properties of (2S)-2-hydroxytricosanoyl iodide?
(2S)-2-hydroxytricosanoyl iodide has a molecular weight of 480.52 g/mol, XLogP of 8.13, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxytricosanoyl iodide is sourced from PubChem (CID 98117445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).