(2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol

C19H40O5 — CID 135030850

IUPAC(2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol
SMILESCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C19H40O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(21)18(23)19(24)17(22)15-20/h16-24H,2-15H2,1H3/t16-,17+,18-,19-/m1/s1
InChIKeyDEHYWHSKUNSZPG-FCGDIQPGSA-N
MW348.52 g/mol
LogP2.51
Rot. Bonds17

About (2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol

(2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol (PubChem CID 135030850) has the molecular formula C19H40O5 and a molecular weight of 348.52 g/mol. Its IUPAC name is (2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol
PubChem CID135030850
Molecular FormulaC19H40O5
Molecular Weight348.52 g/mol
Exact Mass348.29
IUPAC Name(2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol
SMILESCCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C19H40O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(21)18(23)19(24)17(22)15-20/h16-24H,2-15H2,1H3/t16-,17+,18-,19-/m1/s1
InChIKeyDEHYWHSKUNSZPG-FCGDIQPGSA-N
XLogP2.51
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 52.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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4-pentyldodecane-1,2,3-triol
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hexane-1,2,3,4,5,6-hexol;octacosan-1-ol
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2-aminodocosane-1,3,4-triol
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(2S,3S,4S)-2-aminohexadecane-1,3,4-triol
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(2R,3S)-2-aminooctadecane-1,3,4-triol
CID 123143330
nonacosane-14,15-diol
CID 91509633
tridecane-2,3,4-triol
CID 90443062
2-methyldodecane-3,4-diol
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(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol?
The IUPAC name of (2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol (CID 135030850) is (2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol.
What is the SMILES notation for (2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol?
The canonical SMILES for (2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol is CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.
What is the InChIKey of (2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol?
The InChIKey is DEHYWHSKUNSZPG-FCGDIQPGSA-N. The full InChI is InChI=1S/C19H40O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(21)18(23)19(24)17(22)15-20/h16-24H,2-15H2,1H3/t16-,17+,18-,19-/m1/s1.
What are the key properties of (2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol?
(2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol has a molecular weight of 348.52 g/mol, XLogP of 2.51, 17 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol is sourced from PubChem (CID 135030850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).