2,3,4,5,6-pentakis(dihydroxyphosphinothioyloxy)cyclohexan-1-ol

C6H17O16P5S5 — CID 71465201

IUPAC2,3,4,5,6-pentakis(dihydroxyphosphinothioyloxy)cyclohexan-1-ol
SMILESOC1C(OP(O)(O)=S)C(OP(O)(O)=S)C(OP(O)(O)=S)C(OP(O)(O)=S)C1OP(O)(O)=S
InChIInChI=1S/C6H17O16P5S5/c7-1-2(18-23(8,9)28)4(20-25(12,13)30)6(22-27(16,17)32)5(21-26(14,15)31)3(1)19-24(10,11)29/h1-7H,(H2,8,9,28)(H2,10,11,29)(H2,12,13,30)(H2,14,15,31)(H2,16,17,32)
InChIKeyTUIGGSRZLKVGFM-UHFFFAOYSA-N
MW660.39 g/mol
LogP-2.67
Rot. Bonds10

About 2,3,4,5,6-pentakis(dihydroxyphosphinothioyloxy)cyclohexan-1-ol

2,3,4,5,6-pentakis(dihydroxyphosphinothioyloxy)cyclohexan-1-ol (PubChem CID 71465201) has the molecular formula C6H17O16P5S5 and a molecular weight of 660.39 g/mol. Its IUPAC name is 2,3,4,5,6-pentakis(dihydroxyphosphinothioyloxy)cyclohexan-1-ol.

Molecular Properties

Compound Name2,3,4,5,6-pentakis(dihydroxyphosphinothioyloxy)cyclohexan-1-ol
PubChem CID71465201
Molecular FormulaC6H17O16P5S5
Molecular Weight660.39 g/mol
Exact Mass659.78
IUPAC Name2,3,4,5,6-pentakis(dihydroxyphosphinothioyloxy)cyclohexan-1-ol
SMILESOC1C(OP(O)(O)=S)C(OP(O)(O)=S)C(OP(O)(O)=S)C(OP(O)(O)=S)C1OP(O)(O)=S
InChIInChI=1S/C6H17O16P5S5/c7-1-2(18-23(8,9)28)4(20-25(12,13)30)6(22-27(16,17)32)5(21-26(14,15)31)3(1)19-24(10,11)29/h1-7H,(H2,8,9,28)(H2,10,11,29)(H2,12,13,30)(H2,14,15,31)(H2,16,17,32)
InChIKeyTUIGGSRZLKVGFM-UHFFFAOYSA-N
XLogP-2.67
TPSA268.68 Ų
H-Bond Donors11
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500660.39
LogP ≤ 5-2.67
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentakis(dihydroxyphosphinothioyloxy)cyclohexan-1-ol?
The IUPAC name of 2,3,4,5,6-pentakis(dihydroxyphosphinothioyloxy)cyclohexan-1-ol (CID 71465201) is 2,3,4,5,6-pentakis(dihydroxyphosphinothioyloxy)cyclohexan-1-ol.
What is the SMILES notation for 2,3,4,5,6-pentakis(dihydroxyphosphinothioyloxy)cyclohexan-1-ol?
The canonical SMILES for 2,3,4,5,6-pentakis(dihydroxyphosphinothioyloxy)cyclohexan-1-ol is OC1C(OP(O)(O)=S)C(OP(O)(O)=S)C(OP(O)(O)=S)C(OP(O)(O)=S)C1OP(O)(O)=S.
What is the InChIKey of 2,3,4,5,6-pentakis(dihydroxyphosphinothioyloxy)cyclohexan-1-ol?
The InChIKey is TUIGGSRZLKVGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17O16P5S5/c7-1-2(18-23(8,9)28)4(20-25(12,13)30)6(22-27(16,17)32)5(21-26(14,15)31)3(1)19-24(10,11)29/h1-7H,(H2,8,9,28)(H2,10,11,29)(H2,12,13,30)(H2,14,15,31)(H2,16,17,32).
What are the key properties of 2,3,4,5,6-pentakis(dihydroxyphosphinothioyloxy)cyclohexan-1-ol?
2,3,4,5,6-pentakis(dihydroxyphosphinothioyloxy)cyclohexan-1-ol has a molecular weight of 660.39 g/mol, XLogP of -2.67, 10 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentakis(dihydroxyphosphinothioyloxy)cyclohexan-1-ol is sourced from PubChem (CID 71465201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).