(3S,25S)-hexacosane-1,3,25-triol

C26H54O3 — CID 163073285

IUPAC(3S,25S)-hexacosane-1,3,25-triol
SMILESC[C@H](O)CCCCCCCCCCCCCCCCCCCCC[C@H](O)CCO
InChIInChI=1S/C26H54O3/c1-25(28)21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-26(29)23-24-27/h25-29H,2-24H2,1H3/t25-,26-/m0/s1
InChIKeyUHNHNACCNLEBON-UIOOFZCWSA-N
MW414.72 g/mol
LogP7.30
Rot. Bonds24

About (3S,25S)-hexacosane-1,3,25-triol

(3S,25S)-hexacosane-1,3,25-triol (PubChem CID 163073285) has the molecular formula C26H54O3 and a molecular weight of 414.72 g/mol. Its IUPAC name is (3S,25S)-hexacosane-1,3,25-triol.

Molecular Properties

Compound Name(3S,25S)-hexacosane-1,3,25-triol
PubChem CID163073285
Molecular FormulaC26H54O3
Molecular Weight414.72 g/mol
Exact Mass414.41
IUPAC Name(3S,25S)-hexacosane-1,3,25-triol
SMILESC[C@H](O)CCCCCCCCCCCCCCCCCCCCC[C@H](O)CCO
InChIInChI=1S/C26H54O3/c1-25(28)21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-26(29)23-24-27/h25-29H,2-24H2,1H3/t25-,26-/m0/s1
InChIKeyUHNHNACCNLEBON-UIOOFZCWSA-N
XLogP7.30
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.72
LogP ≤ 57.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(10S)-undecane-1,10-diol
CID 129382222
hexadecane-1,3,16-triol
CID 90439794
henicosane-1,20-diol
CID 86247204
hexadecane-1,15-diol
CID 53400630
octadecane-1,3,18-triol
CID 90439804
octadecane-2,14-diol
CID 170722506
undecane-1,1,9,11-tetrol
CID 123331969
hexane-1,2,5-triol;hexane-1,3,6-triol
CID 175569884
hexane-1,5-diol;propane-1,3-diol
CID 139532508
heptacosane-1,10,27-triol
CID 56980866
hexadecane-1,8,16-triol
CID 11403100
hexacosane-1,8,19,26-tetrol
CID 167004997

Frequently Asked Questions

What is the IUPAC name of (3S,25S)-hexacosane-1,3,25-triol?
The IUPAC name of (3S,25S)-hexacosane-1,3,25-triol (CID 163073285) is (3S,25S)-hexacosane-1,3,25-triol.
What is the SMILES notation for (3S,25S)-hexacosane-1,3,25-triol?
The canonical SMILES for (3S,25S)-hexacosane-1,3,25-triol is C[C@H](O)CCCCCCCCCCCCCCCCCCCCC[C@H](O)CCO.
What is the InChIKey of (3S,25S)-hexacosane-1,3,25-triol?
The InChIKey is UHNHNACCNLEBON-UIOOFZCWSA-N. The full InChI is InChI=1S/C26H54O3/c1-25(28)21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-26(29)23-24-27/h25-29H,2-24H2,1H3/t25-,26-/m0/s1.
What are the key properties of (3S,25S)-hexacosane-1,3,25-triol?
(3S,25S)-hexacosane-1,3,25-triol has a molecular weight of 414.72 g/mol, XLogP of 7.30, 24 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,25S)-hexacosane-1,3,25-triol is sourced from PubChem (CID 163073285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).