(2R)-2-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-2H-pyran-5-one

C17H24O8 — CID 101257369

IUPAC(2R)-2-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-2H-pyran-5-one
SMILESCC1(C)O[C@H]2O[C@H]([C@H]3COC(C)(C)O3)[C@H](O[C@@H]3C=CC(=O)CO3)[C@H]2O1
InChIInChI=1S/C17H24O8/c1-16(2)20-8-10(23-16)12-13(21-11-6-5-9(18)7-19-11)14-15(22-12)25-17(3,4)24-14/h5-6,10-15H,7-8H2,1-4H3/t10-,11-,12-,13+,14-,15-/m1/s1
InChIKeyVKWCPWVSRFMTOK-PLJUSGQGSA-N
MW356.37 g/mol
LogP0.88
Rot. Bonds3

About (2R)-2-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-2H-pyran-5-one

(2R)-2-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-2H-pyran-5-one (PubChem CID 101257369) has the molecular formula C17H24O8 and a molecular weight of 356.37 g/mol. Its IUPAC name is (2R)-2-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-2H-pyran-5-one.

Molecular Properties

Compound Name(2R)-2-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-2H-pyran-5-one
PubChem CID101257369
Molecular FormulaC17H24O8
Molecular Weight356.37 g/mol
Exact Mass356.15
IUPAC Name(2R)-2-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-2H-pyran-5-one
SMILESCC1(C)O[C@H]2O[C@H]([C@H]3COC(C)(C)O3)[C@H](O[C@@H]3C=CC(=O)CO3)[C@H]2O1
InChIInChI=1S/C17H24O8/c1-16(2)20-8-10(23-16)12-13(21-11-6-5-9(18)7-19-11)14-15(22-12)25-17(3,4)24-14/h5-6,10-15H,7-8H2,1-4H3/t10-,11-,12-,13+,14-,15-/m1/s1
InChIKeyVKWCPWVSRFMTOK-PLJUSGQGSA-N
XLogP0.88
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2R)-2-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-2H-pyran-5-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-2H-pyran-5-one?
The IUPAC name of (2R)-2-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-2H-pyran-5-one (CID 101257369) is (2R)-2-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-2H-pyran-5-one.
What is the SMILES notation for (2R)-2-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-2H-pyran-5-one?
The canonical SMILES for (2R)-2-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-2H-pyran-5-one is CC1(C)O[C@H]2O[C@H]([C@H]3COC(C)(C)O3)[C@H](O[C@@H]3C=CC(=O)CO3)[C@H]2O1.
What is the InChIKey of (2R)-2-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-2H-pyran-5-one?
The InChIKey is VKWCPWVSRFMTOK-PLJUSGQGSA-N. The full InChI is InChI=1S/C17H24O8/c1-16(2)20-8-10(23-16)12-13(21-11-6-5-9(18)7-19-11)14-15(22-12)25-17(3,4)24-14/h5-6,10-15H,7-8H2,1-4H3/t10-,11-,12-,13+,14-,15-/m1/s1.
What are the key properties of (2R)-2-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-2H-pyran-5-one?
(2R)-2-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-2H-pyran-5-one has a molecular weight of 356.37 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]oxy]-2H-pyran-5-one is sourced from PubChem (CID 101257369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).