5-hydroxy-N-[2-[hydroxy-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinothioyl]oxy-3-(5-hydroxypentanoylamino)propyl]pentanamide

C19H39N2O10PS — CID 126626249

IUPAC5-hydroxy-N-[2-[hydroxy-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinothioyl]oxy-3-(5-hydroxypentanoylamino)propyl]pentanamide
SMILESO=C(CCCCO)NCC(CNC(=O)CCCCO)OP(O)(=S)OCCOCCOCCO
InChIInChI=1S/C19H39N2O10PS/c22-7-3-1-5-18(25)20-15-17(16-21-19(26)6-2-4-8-23)31-32(27,33)30-14-13-29-12-11-28-10-9-24/h17,22-24H,1-16H2,(H,20,25)(H,21,26)(H,27,33)
InChIKeyICCXSIPTQHONLA-UHFFFAOYSA-N
MW518.57 g/mol
LogP-0.81
Rot. Bonds23

About 5-hydroxy-N-[2-[hydroxy-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinothioyl]oxy-3-(5-hydroxypentanoylamino)propyl]pentanamide

5-hydroxy-N-[2-[hydroxy-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinothioyl]oxy-3-(5-hydroxypentanoylamino)propyl]pentanamide (PubChem CID 126626249) has the molecular formula C19H39N2O10PS and a molecular weight of 518.57 g/mol. Its IUPAC name is 5-hydroxy-N-[2-[hydroxy-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinothioyl]oxy-3-(5-hydroxypentanoylamino)propyl]pentanamide.

Molecular Properties

Compound Name5-hydroxy-N-[2-[hydroxy-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinothioyl]oxy-3-(5-hydroxypentanoylamino)propyl]pentanamide
PubChem CID126626249
Molecular FormulaC19H39N2O10PS
Molecular Weight518.57 g/mol
Exact Mass518.21
IUPAC Name5-hydroxy-N-[2-[hydroxy-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinothioyl]oxy-3-(5-hydroxypentanoylamino)propyl]pentanamide
SMILESO=C(CCCCO)NCC(CNC(=O)CCCCO)OP(O)(=S)OCCOCCOCCO
InChIInChI=1S/C19H39N2O10PS/c22-7-3-1-5-18(25)20-15-17(16-21-19(26)6-2-4-8-23)31-32(27,33)30-14-13-29-12-11-28-10-9-24/h17,22-24H,1-16H2,(H,20,25)(H,21,26)(H,27,33)
InChIKeyICCXSIPTQHONLA-UHFFFAOYSA-N
XLogP-0.81
TPSA176.04 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.57
LogP ≤ 5-0.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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

N-[2-[hydroxy-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinothioyl]oxy-2-(5-methoxypentanoylamino)ethyl]-5-methoxypentanamide
CID 118346320
1,3-bis(octadecanoylamino)propan-2-yl 2-[2-[2-[2-[2-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen phosphate
CID 87267769
N-(2,3-dihydroxypropyl)-5-hydroxypentanamide
CID 79208714
20-hydroxy-N-[2-hydroxy-3-(20-hydroxyicosanoylamino)propyl]icosanamide
CID 87382092
1,3-bis[5-[1,3-bis[5-[hydroxy(propoxy)phosphoryl]oxypentanoylamino]propan-2-yloxy-hydroxyphosphoryl]oxypentanoylamino]propan-2-yl methyl hydrogen phosphate
CID 153492878
N-hexadecyl-6-[hydroxy(propan-2-yloxy)phosphinothioyl]oxyhexanamide
CID 177289166
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-9-hydroxynonanamide
CID 155740106
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
ethane;N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]-9-propan-2-yloxynonanamide;molecular hydrogen
CID 155740333
9-hydroxy-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]nonanamide
CID 155740636
N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pentanamide
CID 54534992
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]pentanamide
CID 175944386

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[2-[hydroxy-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinothioyl]oxy-3-(5-hydroxypentanoylamino)propyl]pentanamide?
The IUPAC name of 5-hydroxy-N-[2-[hydroxy-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinothioyl]oxy-3-(5-hydroxypentanoylamino)propyl]pentanamide (CID 126626249) is 5-hydroxy-N-[2-[hydroxy-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinothioyl]oxy-3-(5-hydroxypentanoylamino)propyl]pentanamide.
What is the SMILES notation for 5-hydroxy-N-[2-[hydroxy-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinothioyl]oxy-3-(5-hydroxypentanoylamino)propyl]pentanamide?
The canonical SMILES for 5-hydroxy-N-[2-[hydroxy-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinothioyl]oxy-3-(5-hydroxypentanoylamino)propyl]pentanamide is O=C(CCCCO)NCC(CNC(=O)CCCCO)OP(O)(=S)OCCOCCOCCO.
What is the InChIKey of 5-hydroxy-N-[2-[hydroxy-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinothioyl]oxy-3-(5-hydroxypentanoylamino)propyl]pentanamide?
The InChIKey is ICCXSIPTQHONLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N2O10PS/c22-7-3-1-5-18(25)20-15-17(16-21-19(26)6-2-4-8-23)31-32(27,33)30-14-13-29-12-11-28-10-9-24/h17,22-24H,1-16H2,(H,20,25)(H,21,26)(H,27,33).
What are the key properties of 5-hydroxy-N-[2-[hydroxy-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinothioyl]oxy-3-(5-hydroxypentanoylamino)propyl]pentanamide?
5-hydroxy-N-[2-[hydroxy-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinothioyl]oxy-3-(5-hydroxypentanoylamino)propyl]pentanamide has a molecular weight of 518.57 g/mol, XLogP of -0.81, 23 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[2-[hydroxy-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phosphinothioyl]oxy-3-(5-hydroxypentanoylamino)propyl]pentanamide is sourced from PubChem (CID 126626249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).