(2R,3R,4R,5S)-24-phenyltetracosane-1,2,3,4,5,6-hexol

C30H54O6 — CID 142718229

IUPAC(2R,3R,4R,5S)-24-phenyltetracosane-1,2,3,4,5,6-hexol
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)CCCCCCCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C30H54O6/c31-24-27(33)29(35)30(36)28(34)26(32)23-19-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-20-25-21-17-15-18-22-25/h15,17-18,21-22,26-36H,1-14,16,19-20,23-24H2/t26?,27-,28+,29-,30-/m1/s1
InChIKeyNOCUDGSLYSSKOW-ZKJZDWLCSA-N
MW510.76 g/mol
LogP4.66
Rot. Bonds24

About (2R,3R,4R,5S)-24-phenyltetracosane-1,2,3,4,5,6-hexol

(2R,3R,4R,5S)-24-phenyltetracosane-1,2,3,4,5,6-hexol (PubChem CID 142718229) has the molecular formula C30H54O6 and a molecular weight of 510.76 g/mol. Its IUPAC name is (2R,3R,4R,5S)-24-phenyltetracosane-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-24-phenyltetracosane-1,2,3,4,5,6-hexol
PubChem CID142718229
Molecular FormulaC30H54O6
Molecular Weight510.76 g/mol
Exact Mass510.39
IUPAC Name(2R,3R,4R,5S)-24-phenyltetracosane-1,2,3,4,5,6-hexol
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)CCCCCCCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C30H54O6/c31-24-27(33)29(35)30(36)28(34)26(32)23-19-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-20-25-21-17-15-18-22-25/h15,17-18,21-22,26-36H,1-14,16,19-20,23-24H2/t26?,27-,28+,29-,30-/m1/s1
InChIKeyNOCUDGSLYSSKOW-ZKJZDWLCSA-N
XLogP4.66
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.76
LogP ≤ 54.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-24-phenyltetracosane-1,2,3,4,5,6-hexol?
The IUPAC name of (2R,3R,4R,5S)-24-phenyltetracosane-1,2,3,4,5,6-hexol (CID 142718229) is (2R,3R,4R,5S)-24-phenyltetracosane-1,2,3,4,5,6-hexol.
What is the SMILES notation for (2R,3R,4R,5S)-24-phenyltetracosane-1,2,3,4,5,6-hexol?
The canonical SMILES for (2R,3R,4R,5S)-24-phenyltetracosane-1,2,3,4,5,6-hexol is OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)CCCCCCCCCCCCCCCCCCc1ccccc1.
What is the InChIKey of (2R,3R,4R,5S)-24-phenyltetracosane-1,2,3,4,5,6-hexol?
The InChIKey is NOCUDGSLYSSKOW-ZKJZDWLCSA-N. The full InChI is InChI=1S/C30H54O6/c31-24-27(33)29(35)30(36)28(34)26(32)23-19-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-20-25-21-17-15-18-22-25/h15,17-18,21-22,26-36H,1-14,16,19-20,23-24H2/t26?,27-,28+,29-,30-/m1/s1.
What are the key properties of (2R,3R,4R,5S)-24-phenyltetracosane-1,2,3,4,5,6-hexol?
(2R,3R,4R,5S)-24-phenyltetracosane-1,2,3,4,5,6-hexol has a molecular weight of 510.76 g/mol, XLogP of 4.66, 24 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-24-phenyltetracosane-1,2,3,4,5,6-hexol is sourced from PubChem (CID 142718229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).