dihydroxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-sulfanylidene-λ5-phosphane

C22H47O5PS — CID 71719457

IUPACdihydroxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(O)=S)OC
InChIInChI=1S/C22H47O5PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-20-22(25-2)21-27-28(23,24)29/h22H,3-21H2,1-2H3,(H2,23,24,29)/t22-/m1/s1
InChIKeyJYAROLONGLXUOT-JOCHJYFZSA-N
MW454.65 g/mol
LogP6.51
Rot. Bonds23

About dihydroxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-sulfanylidene-λ5-phosphane

dihydroxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-sulfanylidene-λ5-phosphane (PubChem CID 71719457) has the molecular formula C22H47O5PS and a molecular weight of 454.65 g/mol. Its IUPAC name is dihydroxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedihydroxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-sulfanylidene-λ5-phosphane
PubChem CID71719457
Molecular FormulaC22H47O5PS
Molecular Weight454.65 g/mol
Exact Mass454.29
IUPAC Namedihydroxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(O)=S)OC
InChIInChI=1S/C22H47O5PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-20-22(25-2)21-27-28(23,24)29/h22H,3-21H2,1-2H3,(H2,23,24,29)/t22-/m1/s1
InChIKeyJYAROLONGLXUOT-JOCHJYFZSA-N
XLogP6.51
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.65
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(3-hexoxy-2-methoxypropoxy)hexane
CID 163381100
sodium dihydroxy-(3-methoxy-2-octadecoxypropoxy)-sulfanylidene-λ5-phosphane
CID 71599960
fluoro-(2-methoxy-3-tetradecoxypropoxy)phosphinic acid
CID 11689532
3-dihydroxyphosphinothioyloxy-2-octadecoxypropan-1-ol
CID 11532270
(2R)-3-hexadecoxy-2-methoxypropan-1-ol
CID 10065250
1-dihydroxyphosphinothioyloxy-3-octadec-9-enoxypropan-2-ol
CID 72986618
2-aminoethyl (3-hexadecoxy-2-methoxypropyl) hydrogen phosphate
CID 24802202
(3S)-4-hexadecoxy-3-methoxybutan-1-ol
CID 11393808
1-[hydroxy-(2-methoxy-3-octadecoxypropoxy)phosphoryl]propyl-trimethylazanium
CID 54309775
methane;1-(2-methoxybutoxy)hexadecane
CID 161162906
[(3R)-4-hexadecoxy-3-methoxybutyl]phosphonic acid
CID 10364120
3-[hydroxy-(2-methoxy-3-octadecoxypropoxy)phosphoryl]propyl-trimethylazanium
CID 88685870

Frequently Asked Questions

What is the IUPAC name of dihydroxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-sulfanylidene-λ5-phosphane?
The IUPAC name of dihydroxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-sulfanylidene-λ5-phosphane (CID 71719457) is dihydroxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dihydroxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-sulfanylidene-λ5-phosphane?
The canonical SMILES for dihydroxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-sulfanylidene-λ5-phosphane is CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(O)=S)OC.
What is the InChIKey of dihydroxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-sulfanylidene-λ5-phosphane?
The InChIKey is JYAROLONGLXUOT-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H47O5PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-20-22(25-2)21-27-28(23,24)29/h22H,3-21H2,1-2H3,(H2,23,24,29)/t22-/m1/s1.
What are the key properties of dihydroxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-sulfanylidene-λ5-phosphane?
dihydroxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-sulfanylidene-λ5-phosphane has a molecular weight of 454.65 g/mol, XLogP of 6.51, 23 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-[(2R)-2-methoxy-3-octadecoxypropoxy]-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 71719457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).