(6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,4-dihydroxyoxan-2-one

C13H20O8 — CID 102400349

IUPAC(6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,4-dihydroxyoxan-2-one
SMILESCO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H]1CC(O)C(O)C(=O)O1
InChIInChI=1S/C13H20O8/c1-13(2)20-10-9(17-3)8(19-12(10)21-13)6-4-5(14)7(15)11(16)18-6/h5-10,12,14-15H,4H2,1-3H3/t5?,6-,7?,8-,9+,10-,12-/m1/s1
InChIKeyLXODXLZFIYNQHX-ULUYZAEPSA-N
MW304.30 g/mol
LogP-1.08
Rot. Bonds2

About (6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,4-dihydroxyoxan-2-one

(6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,4-dihydroxyoxan-2-one (PubChem CID 102400349) has the molecular formula C13H20O8 and a molecular weight of 304.30 g/mol. Its IUPAC name is (6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,4-dihydroxyoxan-2-one.

Molecular Properties

Compound Name(6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,4-dihydroxyoxan-2-one
PubChem CID102400349
Molecular FormulaC13H20O8
Molecular Weight304.30 g/mol
Exact Mass304.12
IUPAC Name(6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,4-dihydroxyoxan-2-one
SMILESCO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H]1CC(O)C(O)C(=O)O1
InChIInChI=1S/C13H20O8/c1-13(2)20-10-9(17-3)8(19-12(10)21-13)6-4-5(14)7(15)11(16)18-6/h5-10,12,14-15H,4H2,1-3H3/t5?,6-,7?,8-,9+,10-,12-/m1/s1
InChIKeyLXODXLZFIYNQHX-ULUYZAEPSA-N
XLogP-1.08
TPSA103.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,4-dihydroxyoxan-2-one 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

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,4-dihydroxyoxan-2-one?
The IUPAC name of (6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,4-dihydroxyoxan-2-one (CID 102400349) is (6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,4-dihydroxyoxan-2-one.
What is the SMILES notation for (6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,4-dihydroxyoxan-2-one?
The canonical SMILES for (6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,4-dihydroxyoxan-2-one is CO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1[C@H]1CC(O)C(O)C(=O)O1.
What is the InChIKey of (6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,4-dihydroxyoxan-2-one?
The InChIKey is LXODXLZFIYNQHX-ULUYZAEPSA-N. The full InChI is InChI=1S/C13H20O8/c1-13(2)20-10-9(17-3)8(19-12(10)21-13)6-4-5(14)7(15)11(16)18-6/h5-10,12,14-15H,4H2,1-3H3/t5?,6-,7?,8-,9+,10-,12-/m1/s1.
What are the key properties of (6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,4-dihydroxyoxan-2-one?
(6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,4-dihydroxyoxan-2-one has a molecular weight of 304.30 g/mol, XLogP of -1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-3,4-dihydroxyoxan-2-one is sourced from PubChem (CID 102400349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).