6-(dimethylphosphorylmethylsulfonylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol

C14H27O9PS2 — CID 18343719

IUPAC6-(dimethylphosphorylmethylsulfonylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
SMILESCC1OC(CS(=O)(=O)CS(=O)(=O)CP(C)(C)=O)C(O)C2OC(C)(C)OC12
InChIInChI=1S/C14H27O9PS2/c1-9-12-13(23-14(2,3)22-12)11(15)10(21-9)6-25(17,18)8-26(19,20)7-24(4,5)16/h9-13,15H,6-8H2,1-5H3
InChIKeyOHOKZBHFWSJKOQ-UHFFFAOYSA-N
MW434.47 g/mol
LogP0.02
Rot. Bonds6

About 6-(dimethylphosphorylmethylsulfonylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol

6-(dimethylphosphorylmethylsulfonylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol (PubChem CID 18343719) has the molecular formula C14H27O9PS2 and a molecular weight of 434.47 g/mol. Its IUPAC name is 6-(dimethylphosphorylmethylsulfonylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol.

Molecular Properties

Compound Name6-(dimethylphosphorylmethylsulfonylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
PubChem CID18343719
Molecular FormulaC14H27O9PS2
Molecular Weight434.47 g/mol
Exact Mass434.08
IUPAC Name6-(dimethylphosphorylmethylsulfonylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
SMILESCC1OC(CS(=O)(=O)CS(=O)(=O)CP(C)(C)=O)C(O)C2OC(C)(C)OC12
InChIInChI=1S/C14H27O9PS2/c1-9-12-13(23-14(2,3)22-12)11(15)10(21-9)6-25(17,18)8-26(19,20)7-24(4,5)16/h9-13,15H,6-8H2,1-5H3
InChIKeyOHOKZBHFWSJKOQ-UHFFFAOYSA-N
XLogP0.02
TPSA133.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-(ethylsulfonylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 18343714
6-(dimethylphosphorylmethylsulfanylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 18343718
actinium;6-(ethylsulfonylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 23534159
6-[di(propan-2-yloxy)phosphorylmethylsulfonylmethylsulfonylmethyl]-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 140448526
6-[di(propan-2-yloxy)phosphorylmethylsulfanylmethylsulfonylmethyl]-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 140448527

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylphosphorylmethylsulfonylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol?
The IUPAC name of 6-(dimethylphosphorylmethylsulfonylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol (CID 18343719) is 6-(dimethylphosphorylmethylsulfonylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol.
What is the SMILES notation for 6-(dimethylphosphorylmethylsulfonylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol?
The canonical SMILES for 6-(dimethylphosphorylmethylsulfonylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol is CC1OC(CS(=O)(=O)CS(=O)(=O)CP(C)(C)=O)C(O)C2OC(C)(C)OC12.
What is the InChIKey of 6-(dimethylphosphorylmethylsulfonylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol?
The InChIKey is OHOKZBHFWSJKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27O9PS2/c1-9-12-13(23-14(2,3)22-12)11(15)10(21-9)6-25(17,18)8-26(19,20)7-24(4,5)16/h9-13,15H,6-8H2,1-5H3.
What are the key properties of 6-(dimethylphosphorylmethylsulfonylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol?
6-(dimethylphosphorylmethylsulfonylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol has a molecular weight of 434.47 g/mol, XLogP of 0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylphosphorylmethylsulfonylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol is sourced from PubChem (CID 18343719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).