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

C14H27O7PS2 — CID 18343718

IUPAC6-(dimethylphosphorylmethylsulfanylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
SMILESCC1OC(CS(=O)(=O)CSCP(C)(C)=O)C(O)C2OC(C)(C)OC12
InChIInChI=1S/C14H27O7PS2/c1-9-12-13(21-14(2,3)20-12)11(15)10(19-9)6-24(17,18)8-23-7-22(4,5)16/h9-13,15H,6-8H2,1-5H3
InChIKeyVOMXKHDOYXSAAQ-UHFFFAOYSA-N
MW402.47 g/mol
LogP1.34
Rot. Bonds6

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

6-(dimethylphosphorylmethylsulfanylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol (PubChem CID 18343718) has the molecular formula C14H27O7PS2 and a molecular weight of 402.47 g/mol. Its IUPAC name is 6-(dimethylphosphorylmethylsulfanylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol.

Molecular Properties

Compound Name6-(dimethylphosphorylmethylsulfanylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
PubChem CID18343718
Molecular FormulaC14H27O7PS2
Molecular Weight402.47 g/mol
Exact Mass402.09
IUPAC Name6-(dimethylphosphorylmethylsulfanylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
SMILESCC1OC(CS(=O)(=O)CSCP(C)(C)=O)C(O)C2OC(C)(C)OC12
InChIInChI=1S/C14H27O7PS2/c1-9-12-13(21-14(2,3)20-12)11(15)10(19-9)6-24(17,18)8-23-7-22(4,5)16/h9-13,15H,6-8H2,1-5H3
InChIKeyVOMXKHDOYXSAAQ-UHFFFAOYSA-N
XLogP1.34
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(dimethylphosphorylmethylsulfonylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol
CID 18343719
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-(dimethylphosphorylmethylsulfanylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol?
The IUPAC name of 6-(dimethylphosphorylmethylsulfanylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol (CID 18343718) is 6-(dimethylphosphorylmethylsulfanylmethylsulfonylmethyl)-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-(dimethylphosphorylmethylsulfanylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol?
The canonical SMILES for 6-(dimethylphosphorylmethylsulfanylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol is CC1OC(CS(=O)(=O)CSCP(C)(C)=O)C(O)C2OC(C)(C)OC12.
What is the InChIKey of 6-(dimethylphosphorylmethylsulfanylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol?
The InChIKey is VOMXKHDOYXSAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27O7PS2/c1-9-12-13(21-14(2,3)20-12)11(15)10(19-9)6-24(17,18)8-23-7-22(4,5)16/h9-13,15H,6-8H2,1-5H3.
What are the key properties of 6-(dimethylphosphorylmethylsulfanylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol?
6-(dimethylphosphorylmethylsulfanylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol has a molecular weight of 402.47 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylphosphorylmethylsulfanylmethylsulfonylmethyl)-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-ol is sourced from PubChem (CID 18343718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).