1-[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy-[1-[2-methylbutoxy(2-methylpropoxy)phosphoryl]sulfanylpropan-2-yloxy]phosphoryl]sulfanylpropan-2-ol

C26H57O10P3S3 — CID 162483316

IUPAC1-[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy-[1-[2-methylbutoxy(2-methylpropoxy)phosphoryl]sulfanylpropan-2-yloxy]phosphoryl]sulfanylpropan-2-ol
SMILESCCC(C)COP(=O)(OCC(C)C)SCC(C)OP(=O)(OC(C)CSP(=O)(OCC(C)C)OCC(C)C)SCC(C)O
InChIInChI=1S/C26H57O10P3S3/c1-12-23(8)16-34-38(29,33-15-22(6)7)42-19-26(11)36-39(30,40-17-24(9)27)35-25(10)18-41-37(28,31-13-20(2)3)32-14-21(4)5/h20-27H,12-19H2,1-11H3
InChIKeyCILOHCSHTUUUDA-UHFFFAOYSA-N
MW718.85 g/mol
LogP9.78
Rot. Bonds26

About 1-[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy-[1-[2-methylbutoxy(2-methylpropoxy)phosphoryl]sulfanylpropan-2-yloxy]phosphoryl]sulfanylpropan-2-ol

1-[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy-[1-[2-methylbutoxy(2-methylpropoxy)phosphoryl]sulfanylpropan-2-yloxy]phosphoryl]sulfanylpropan-2-ol (PubChem CID 162483316) has the molecular formula C26H57O10P3S3 and a molecular weight of 718.85 g/mol. Its IUPAC name is 1-[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy-[1-[2-methylbutoxy(2-methylpropoxy)phosphoryl]sulfanylpropan-2-yloxy]phosphoryl]sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy-[1-[2-methylbutoxy(2-methylpropoxy)phosphoryl]sulfanylpropan-2-yloxy]phosphoryl]sulfanylpropan-2-ol
PubChem CID162483316
Molecular FormulaC26H57O10P3S3
Molecular Weight718.85 g/mol
Exact Mass718.23
IUPAC Name1-[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy-[1-[2-methylbutoxy(2-methylpropoxy)phosphoryl]sulfanylpropan-2-yloxy]phosphoryl]sulfanylpropan-2-ol
SMILESCCC(C)COP(=O)(OCC(C)C)SCC(C)OP(=O)(OC(C)CSP(=O)(OCC(C)C)OCC(C)C)SCC(C)O
InChIInChI=1S/C26H57O10P3S3/c1-12-23(8)16-34-38(29,33-15-22(6)7)42-19-26(11)36-39(30,40-17-24(9)27)35-25(10)18-41-37(28,31-13-20(2)3)32-14-21(4)5/h20-27H,12-19H2,1-11H3
InChIKeyCILOHCSHTUUUDA-UHFFFAOYSA-N
XLogP9.78
TPSA126.82 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds26
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500718.85
LogP ≤ 59.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 1-[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy-[1-[2-methylbutoxy(2-methylpropoxy)phosphoryl]sulfanylpropan-2-yloxy]phosphoryl]sulfanylpropan-2-ol with MolForge

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Related Compounds

bis[1-[bis[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy]phosphorylsulfanyl]propan-2-yloxy]-hydroxy-sulfanylidene-λ5-phosphane
CID 153452705
1-di(propan-2-yloxy)phosphorylsulfanylpropan-2-ol
CID 134469659
1-[bis(2-methylpropoxy)phosphorylsulfanyl-(2-methylpropoxy)phosphoryl]oxy-2-methylpropane
CID 134977347
(2S)-1-dimethylphosphoryloxy-2-methylbutane
CID 59885980
2-methyl-1-[methyl(2-methylbutoxy)phosphoryl]oxybutane
CID 170850967
fluoro(2-methylbutoxy)phosphinic acid
CID 175014700
2-hydroxybutyl 2-methylbutyl hydrogen phosphate
CID 59770810
ethyl 3-[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphorylsulfanyl]propan-2-yloxy]phosphorylsulfanyl]propan-2-yloxy-propan-2-yloxyphosphoryl]sulfanylpropanoate
CID 146388692
bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]-sulfanyl-sulfanylidene-λ5-phosphane;1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-ol;di(propan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 161282237
methyl 3-[bis[1-[bis[1-[bis(2-methylpropoxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propanoate
CID 122658927
bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yl] methyl phosphate
CID 121277546
azanium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane
CID 171480655

Frequently Asked Questions

What is the IUPAC name of 1-[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy-[1-[2-methylbutoxy(2-methylpropoxy)phosphoryl]sulfanylpropan-2-yloxy]phosphoryl]sulfanylpropan-2-ol?
The IUPAC name of 1-[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy-[1-[2-methylbutoxy(2-methylpropoxy)phosphoryl]sulfanylpropan-2-yloxy]phosphoryl]sulfanylpropan-2-ol (CID 162483316) is 1-[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy-[1-[2-methylbutoxy(2-methylpropoxy)phosphoryl]sulfanylpropan-2-yloxy]phosphoryl]sulfanylpropan-2-ol.
What is the SMILES notation for 1-[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy-[1-[2-methylbutoxy(2-methylpropoxy)phosphoryl]sulfanylpropan-2-yloxy]phosphoryl]sulfanylpropan-2-ol?
The canonical SMILES for 1-[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy-[1-[2-methylbutoxy(2-methylpropoxy)phosphoryl]sulfanylpropan-2-yloxy]phosphoryl]sulfanylpropan-2-ol is CCC(C)COP(=O)(OCC(C)C)SCC(C)OP(=O)(OC(C)CSP(=O)(OCC(C)C)OCC(C)C)SCC(C)O.
What is the InChIKey of 1-[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy-[1-[2-methylbutoxy(2-methylpropoxy)phosphoryl]sulfanylpropan-2-yloxy]phosphoryl]sulfanylpropan-2-ol?
The InChIKey is CILOHCSHTUUUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H57O10P3S3/c1-12-23(8)16-34-38(29,33-15-22(6)7)42-19-26(11)36-39(30,40-17-24(9)27)35-25(10)18-41-37(28,31-13-20(2)3)32-14-21(4)5/h20-27H,12-19H2,1-11H3.
What are the key properties of 1-[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy-[1-[2-methylbutoxy(2-methylpropoxy)phosphoryl]sulfanylpropan-2-yloxy]phosphoryl]sulfanylpropan-2-ol?
1-[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy-[1-[2-methylbutoxy(2-methylpropoxy)phosphoryl]sulfanylpropan-2-yloxy]phosphoryl]sulfanylpropan-2-ol has a molecular weight of 718.85 g/mol, XLogP of 9.78, 26 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy-[1-[2-methylbutoxy(2-methylpropoxy)phosphoryl]sulfanylpropan-2-yloxy]phosphoryl]sulfanylpropan-2-ol is sourced from PubChem (CID 162483316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).