[(3R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl] methanesulfonate

C10H16O7S — CID 22845692

IUPAC[(3R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl] methanesulfonate
SMILESCC1(C)OC[C@H]([C@H]2C[C@@H](OS(C)(=O)=O)C(=O)O2)O1
InChIInChI=1S/C10H16O7S/c1-10(2)14-5-8(16-10)6-4-7(9(11)15-6)17-18(3,12)13/h6-8H,4-5H2,1-3H3/t6-,7-,8-/m1/s1
InChIKeySSPNCWSTAHYGAD-BWZBUEFSSA-N
MW280.30 g/mol
LogP-0.20
Rot. Bonds3

About [(3R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl] methanesulfonate

[(3R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl] methanesulfonate (PubChem CID 22845692) has the molecular formula C10H16O7S and a molecular weight of 280.30 g/mol. Its IUPAC name is [(3R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl] methanesulfonate.

Molecular Properties

Compound Name[(3R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl] methanesulfonate
PubChem CID22845692
Molecular FormulaC10H16O7S
Molecular Weight280.30 g/mol
Exact Mass280.06
IUPAC Name[(3R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl] methanesulfonate
SMILESCC1(C)OC[C@H]([C@H]2C[C@@H](OS(C)(=O)=O)C(=O)O2)O1
InChIInChI=1S/C10H16O7S/c1-10(2)14-5-8(16-10)6-4-7(9(11)15-6)17-18(3,12)13/h6-8H,4-5H2,1-3H3/t6-,7-,8-/m1/s1
InChIKeySSPNCWSTAHYGAD-BWZBUEFSSA-N
XLogP-0.20
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl] methanesulfonate?
The IUPAC name of [(3R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl] methanesulfonate (CID 22845692) is [(3R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl] methanesulfonate.
What is the SMILES notation for [(3R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl] methanesulfonate?
The canonical SMILES for [(3R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl] methanesulfonate is CC1(C)OC[C@H]([C@H]2C[C@@H](OS(C)(=O)=O)C(=O)O2)O1.
What is the InChIKey of [(3R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl] methanesulfonate?
The InChIKey is SSPNCWSTAHYGAD-BWZBUEFSSA-N. The full InChI is InChI=1S/C10H16O7S/c1-10(2)14-5-8(16-10)6-4-7(9(11)15-6)17-18(3,12)13/h6-8H,4-5H2,1-3H3/t6-,7-,8-/m1/s1.
What are the key properties of [(3R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl] methanesulfonate?
[(3R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl] methanesulfonate has a molecular weight of 280.30 g/mol, XLogP of -0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl] methanesulfonate is sourced from PubChem (CID 22845692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).