[(1R)-1-[(3aR,5R,6S,6aR)-5-[(1R)-1-hydroxyethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethyl] methanesulfonate

C13H24O8S — CID 59169501

IUPAC[(1R)-1-[(3aR,5R,6S,6aR)-5-[(1R)-1-hydroxyethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethyl] methanesulfonate
SMILESCO[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@]1([C@@H](C)O)[C@@H](C)OS(C)(=O)=O
InChIInChI=1S/C13H24O8S/c1-7(14)13(8(2)21-22(6,15)16)10(17-5)9-11(20-13)19-12(3,4)18-9/h7-11,14H,1-6H3/t7-,8-,9-,10+,11+,13+/m1/s1
InChIKeyOKQPEIDLJDGCHK-BNOQRQDOSA-N
MW340.39 g/mol
LogP-0.01
Rot. Bonds5

About [(1R)-1-[(3aR,5R,6S,6aR)-5-[(1R)-1-hydroxyethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethyl] methanesulfonate

[(1R)-1-[(3aR,5R,6S,6aR)-5-[(1R)-1-hydroxyethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethyl] methanesulfonate (PubChem CID 59169501) has the molecular formula C13H24O8S and a molecular weight of 340.39 g/mol. Its IUPAC name is [(1R)-1-[(3aR,5R,6S,6aR)-5-[(1R)-1-hydroxyethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethyl] methanesulfonate.

Molecular Properties

Compound Name[(1R)-1-[(3aR,5R,6S,6aR)-5-[(1R)-1-hydroxyethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethyl] methanesulfonate
PubChem CID59169501
Molecular FormulaC13H24O8S
Molecular Weight340.39 g/mol
Exact Mass340.12
IUPAC Name[(1R)-1-[(3aR,5R,6S,6aR)-5-[(1R)-1-hydroxyethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethyl] methanesulfonate
SMILESCO[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@]1([C@@H](C)O)[C@@H](C)OS(C)(=O)=O
InChIInChI=1S/C13H24O8S/c1-7(14)13(8(2)21-22(6,15)16)10(17-5)9-11(20-13)19-12(3,4)18-9/h7-11,14H,1-6H3/t7-,8-,9-,10+,11+,13+/m1/s1
InChIKeyOKQPEIDLJDGCHK-BNOQRQDOSA-N
XLogP-0.01
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(1R)-1-[(3aR,5R,6S,6aR)-5-[(1R)-1-hydroxyethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethyl] methanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3aR,5R,6S,6aR)-6-methoxy-5-[(1S)-1-methoxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol;methanesulfonyl chloride
CID 91316294
(3aR,5R,6S,6aR)-5-(fluoromethyl)-6-methoxy-5-(methoxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole
CID 170150469
1-(1-methylcyclopropyl)ethyl methanesulfonate
CID 102620845
1-(2,3,3-trimethyloxiran-2-yl)ethyl methanesulfonate
CID 135037964
[(3aR,5R,6S,6aR)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] methanesulfonate
CID 24903503
[(2R)-2-[(3aR,4R,6S,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methylsulfonyloxyethyl] methanesulfonate
CID 11143624
[(3aR,6S,7R,7aS)-6-methoxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-thiopyrano[3,4-d][1,3]dioxol-7-yl] methanesulfonate
CID 101384983
[(3aR,4R,7R,7aS)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-oxo-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran-7-yl] methanesulfonate
CID 11122112
[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-5-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 70790141
[(1R)-1-[(4S,5R)-2,2-dimethyl-5-sulfanyl-1,3-dioxolan-4-yl]ethyl] methanesulfonate
CID 150278765
[(2R)-2-[(3aR,5S,6R,6aR)-6-acetyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-methylsulfonyloxyethyl] acetate
CID 14077994
(1S)-1-[(3aS,5S)-2,2-dimethyl-6-phenylmethoxy-5-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethanol
CID 174093486

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(3aR,5R,6S,6aR)-5-[(1R)-1-hydroxyethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethyl] methanesulfonate?
The IUPAC name of [(1R)-1-[(3aR,5R,6S,6aR)-5-[(1R)-1-hydroxyethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethyl] methanesulfonate (CID 59169501) is [(1R)-1-[(3aR,5R,6S,6aR)-5-[(1R)-1-hydroxyethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethyl] methanesulfonate.
What is the SMILES notation for [(1R)-1-[(3aR,5R,6S,6aR)-5-[(1R)-1-hydroxyethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethyl] methanesulfonate?
The canonical SMILES for [(1R)-1-[(3aR,5R,6S,6aR)-5-[(1R)-1-hydroxyethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethyl] methanesulfonate is CO[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@]1([C@@H](C)O)[C@@H](C)OS(C)(=O)=O.
What is the InChIKey of [(1R)-1-[(3aR,5R,6S,6aR)-5-[(1R)-1-hydroxyethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethyl] methanesulfonate?
The InChIKey is OKQPEIDLJDGCHK-BNOQRQDOSA-N. The full InChI is InChI=1S/C13H24O8S/c1-7(14)13(8(2)21-22(6,15)16)10(17-5)9-11(20-13)19-12(3,4)18-9/h7-11,14H,1-6H3/t7-,8-,9-,10+,11+,13+/m1/s1.
What are the key properties of [(1R)-1-[(3aR,5R,6S,6aR)-5-[(1R)-1-hydroxyethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethyl] methanesulfonate?
[(1R)-1-[(3aR,5R,6S,6aR)-5-[(1R)-1-hydroxyethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethyl] methanesulfonate has a molecular weight of 340.39 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[(3aR,5R,6S,6aR)-5-[(1R)-1-hydroxyethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethyl] methanesulfonate is sourced from PubChem (CID 59169501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).