17-phosphanylpentatriacontane-17,18,19-triol

C35H73O3P — CID 87080607

IUPAC17-phosphanylpentatriacontane-17,18,19-triol
SMILESCCCCCCCCCCCCCCCCC(O)C(O)C(O)(P)CCCCCCCCCCCCCCCC
InChIInChI=1S/C35H73O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(36)34(37)35(38,39)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,36-38H,3-32,39H2,1-2H3
InChIKeyGUGACTSKIQFNSH-UHFFFAOYSA-N
MW572.94 g/mol
LogP11.01
Rot. Bonds32

About 17-phosphanylpentatriacontane-17,18,19-triol

17-phosphanylpentatriacontane-17,18,19-triol (PubChem CID 87080607) has the molecular formula C35H73O3P and a molecular weight of 572.94 g/mol. Its IUPAC name is 17-phosphanylpentatriacontane-17,18,19-triol.

Molecular Properties

Compound Name17-phosphanylpentatriacontane-17,18,19-triol
PubChem CID87080607
Molecular FormulaC35H73O3P
Molecular Weight572.94 g/mol
Exact Mass572.53
IUPAC Name17-phosphanylpentatriacontane-17,18,19-triol
SMILESCCCCCCCCCCCCCCCCC(O)C(O)C(O)(P)CCCCCCCCCCCCCCCC
InChIInChI=1S/C35H73O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(36)34(37)35(38,39)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,36-38H,3-32,39H2,1-2H3
InChIKeyGUGACTSKIQFNSH-UHFFFAOYSA-N
XLogP11.01
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds32
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.94
LogP ≤ 511.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
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3,4,5-trihydroxy-3-pentyldecanoyl chloride
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7-heptyltetradecane-6,7,8-triol
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8-pentylhexadecane-8,9-diol
CID 141007443
octadecane-1,1,1,12-tetrol
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10-heptylicosane-9,10,11-triol
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Frequently Asked Questions

What is the IUPAC name of 17-phosphanylpentatriacontane-17,18,19-triol?
The IUPAC name of 17-phosphanylpentatriacontane-17,18,19-triol (CID 87080607) is 17-phosphanylpentatriacontane-17,18,19-triol.
What is the SMILES notation for 17-phosphanylpentatriacontane-17,18,19-triol?
The canonical SMILES for 17-phosphanylpentatriacontane-17,18,19-triol is CCCCCCCCCCCCCCCCC(O)C(O)C(O)(P)CCCCCCCCCCCCCCCC.
What is the InChIKey of 17-phosphanylpentatriacontane-17,18,19-triol?
The InChIKey is GUGACTSKIQFNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H73O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(36)34(37)35(38,39)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,36-38H,3-32,39H2,1-2H3.
What are the key properties of 17-phosphanylpentatriacontane-17,18,19-triol?
17-phosphanylpentatriacontane-17,18,19-triol has a molecular weight of 572.94 g/mol, XLogP of 11.01, 32 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 17-phosphanylpentatriacontane-17,18,19-triol is sourced from PubChem (CID 87080607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).