bis[1-[bis[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy]phosphorylsulfanyl]propan-2-yloxy]-hydroxy-sulfanylidene-λ5-phosphane

C50H109O21P7S7 — CID 153452705

IUPACbis[1-[bis[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy]phosphorylsulfanyl]propan-2-yloxy]-hydroxy-sulfanylidene-λ5-phosphane
SMILESCC(C)COP(=O)(OCC(C)C)SCC(C)OP(=O)(OC(C)CSP(=O)(OCC(C)C)OCC(C)C)SCC(C)OP(O)(=S)OC(C)CSP(=O)(OC(C)CSP(=O)(OCC(C)C)OCC(C)C)OC(C)CSP(=O)(OCC(C)C)OCC(C)C
InChIInChI=1S/C50H109O21P7S7/c1-37(2)23-58-73(52,59-24-38(3)4)80-33-47(19)68-77(56,69-48(20)34-81-74(53,60-25-39(5)6)61-26-40(7)8)84-31-45(17)66-72(51,79)67-46(18)32-85-78(57,70-49(21)35-82-75(54,62-27-41(9)10)63-28-42(11)12)71-50(22)36-83-76(55,64-29-43(13)14)65-30-44(15)16/h37-50H,23-36H2,1-22H3,(H,51,79)
InChIKeyYKVWWKFGTOHQEP-UHFFFAOYSA-N
MW1487.69 g/mol
LogP20.06
Rot. Bonds54

About bis[1-[bis[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy]phosphorylsulfanyl]propan-2-yloxy]-hydroxy-sulfanylidene-λ5-phosphane

bis[1-[bis[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy]phosphorylsulfanyl]propan-2-yloxy]-hydroxy-sulfanylidene-λ5-phosphane (PubChem CID 153452705) has the molecular formula C50H109O21P7S7 and a molecular weight of 1487.69 g/mol. Its IUPAC name is bis[1-[bis[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy]phosphorylsulfanyl]propan-2-yloxy]-hydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebis[1-[bis[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy]phosphorylsulfanyl]propan-2-yloxy]-hydroxy-sulfanylidene-λ5-phosphane
PubChem CID153452705
Molecular FormulaC50H109O21P7S7
Molecular Weight1487.69 g/mol
Exact Mass1486.37
IUPAC Namebis[1-[bis[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy]phosphorylsulfanyl]propan-2-yloxy]-hydroxy-sulfanylidene-λ5-phosphane
SMILESCC(C)COP(=O)(OCC(C)C)SCC(C)OP(=O)(OC(C)CSP(=O)(OCC(C)C)OCC(C)C)SCC(C)OP(O)(=S)OC(C)CSP(=O)(OC(C)CSP(=O)(OCC(C)C)OCC(C)C)OC(C)CSP(=O)(OCC(C)C)OCC(C)C
InChIInChI=1S/C50H109O21P7S7/c1-37(2)23-58-73(52,59-24-38(3)4)80-33-47(19)68-77(56,69-48(20)34-81-74(53,60-25-39(5)6)61-26-40(7)8)84-31-45(17)66-72(51,79)67-46(18)32-85-78(57,70-49(21)35-82-75(54,62-27-41(9)10)63-28-42(11)12)71-50(22)36-83-76(55,64-29-43(13)14)65-30-44(15)16/h37-50H,23-36H2,1-22H3,(H,51,79)
InChIKeyYKVWWKFGTOHQEP-UHFFFAOYSA-N
XLogP20.06
TPSA251.87 Ų
H-Bond Donors1
H-Bond Acceptors27
Rotatable Bonds54
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001487.69
LogP ≤ 520.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy-[1-[2-methylbutoxy(2-methylpropoxy)phosphoryl]sulfanylpropan-2-yloxy]phosphoryl]sulfanylpropan-2-ol
CID 162483316
1-[bis(2-methylpropoxy)phosphorylsulfanyl-(2-methylpropoxy)phosphoryl]oxy-2-methylpropane
CID 134977347
alumane;hydroxy-(2-methylpropoxy)-(2-methylpropylsulfanyl)-sulfanylidene-λ5-phosphane
CID 175017596
methyl 3-[bis[1-[bis[1-[bis(2-methylpropoxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propanoate
CID 122658927
azanium bis(2-methylpropoxy)-oxido-sulfanylidene-λ5-phosphane
CID 171480655
1-di(propan-2-yloxy)phosphorylsulfanylpropan-2-ol
CID 134469659
ethyl 3-[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphorylsulfanyl]propan-2-yloxy]phosphorylsulfanyl]propan-2-yloxy-propan-2-yloxyphosphoryl]sulfanylpropanoate
CID 146388692
ethanol;hydroxy-methyl-(2-methylpropoxy)-sulfanylidene-λ5-phosphane;2-methyl-1-[methyl(methylsulfanyl)phosphoryl]oxypropane
CID 160683394
bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yl] methyl phosphate
CID 121277546
disodium;2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane
CID 90022851
[hydroxy(2-methylpropoxy)phosphinothioyl]methyl-methyl-oxophosphanium
CID 167632290
dihydroxy-(4-methylpentan-2-yloxy)-sulfanylidene-lambda5-phosphane
CID 10241836

Frequently Asked Questions

What is the IUPAC name of bis[1-[bis[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy]phosphorylsulfanyl]propan-2-yloxy]-hydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of bis[1-[bis[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy]phosphorylsulfanyl]propan-2-yloxy]-hydroxy-sulfanylidene-λ5-phosphane (CID 153452705) is bis[1-[bis[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy]phosphorylsulfanyl]propan-2-yloxy]-hydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for bis[1-[bis[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy]phosphorylsulfanyl]propan-2-yloxy]-hydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for bis[1-[bis[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy]phosphorylsulfanyl]propan-2-yloxy]-hydroxy-sulfanylidene-λ5-phosphane is CC(C)COP(=O)(OCC(C)C)SCC(C)OP(=O)(OC(C)CSP(=O)(OCC(C)C)OCC(C)C)SCC(C)OP(O)(=S)OC(C)CSP(=O)(OC(C)CSP(=O)(OCC(C)C)OCC(C)C)OC(C)CSP(=O)(OCC(C)C)OCC(C)C.
What is the InChIKey of bis[1-[bis[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy]phosphorylsulfanyl]propan-2-yloxy]-hydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is YKVWWKFGTOHQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H109O21P7S7/c1-37(2)23-58-73(52,59-24-38(3)4)80-33-47(19)68-77(56,69-48(20)34-81-74(53,60-25-39(5)6)61-26-40(7)8)84-31-45(17)66-72(51,79)67-46(18)32-85-78(57,70-49(21)35-82-75(54,62-27-41(9)10)63-28-42(11)12)71-50(22)36-83-76(55,64-29-43(13)14)65-30-44(15)16/h37-50H,23-36H2,1-22H3,(H,51,79).
What are the key properties of bis[1-[bis[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy]phosphorylsulfanyl]propan-2-yloxy]-hydroxy-sulfanylidene-λ5-phosphane?
bis[1-[bis[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy]phosphorylsulfanyl]propan-2-yloxy]-hydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 1487.69 g/mol, XLogP of 20.06, 54 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-[bis[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy]phosphorylsulfanyl]propan-2-yloxy]-hydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 153452705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).