(4R,4aS,7R,7aR)-7-methoxy-4-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one

C13H20O8 — CID 135017172

IUPAC(4R,4aS,7R,7aR)-7-methoxy-4-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
SMILESCOC1OC[C@H]([C@H]2OC(C)(C)O[C@@H]3[C@H]2OC(=O)[C@@H]3OC)O1
InChIInChI=1S/C13H20O8/c1-13(2)20-7(6-5-17-12(16-4)18-6)8-9(21-13)10(15-3)11(14)19-8/h6-10,12H,5H2,1-4H3/t6-,7-,8+,9-,10-,12?/m1/s1
InChIKeyAJGQBLVNLRDBGF-HDFDJLHMSA-N
MW304.30 g/mol
LogP-0.21
Rot. Bonds3

About (4R,4aS,7R,7aR)-7-methoxy-4-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one

(4R,4aS,7R,7aR)-7-methoxy-4-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one (PubChem CID 135017172) has the molecular formula C13H20O8 and a molecular weight of 304.30 g/mol. Its IUPAC name is (4R,4aS,7R,7aR)-7-methoxy-4-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one.

Molecular Properties

Compound Name(4R,4aS,7R,7aR)-7-methoxy-4-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
PubChem CID135017172
Molecular FormulaC13H20O8
Molecular Weight304.30 g/mol
Exact Mass304.12
IUPAC Name(4R,4aS,7R,7aR)-7-methoxy-4-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
SMILESCOC1OC[C@H]([C@H]2OC(C)(C)O[C@@H]3[C@H]2OC(=O)[C@@H]3OC)O1
InChIInChI=1S/C13H20O8/c1-13(2)20-7(6-5-17-12(16-4)18-6)8-9(21-13)10(15-3)11(14)19-8/h6-10,12H,5H2,1-4H3/t6-,7-,8+,9-,10-,12?/m1/s1
InChIKeyAJGQBLVNLRDBGF-HDFDJLHMSA-N
XLogP-0.21
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4R,4aS,7R,7aR)-7-methoxy-4-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R,4aS,7R,7aR)-7-methoxy-4-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
The IUPAC name of (4R,4aS,7R,7aR)-7-methoxy-4-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one (CID 135017172) is (4R,4aS,7R,7aR)-7-methoxy-4-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one.
What is the SMILES notation for (4R,4aS,7R,7aR)-7-methoxy-4-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
The canonical SMILES for (4R,4aS,7R,7aR)-7-methoxy-4-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one is COC1OC[C@H]([C@H]2OC(C)(C)O[C@@H]3[C@H]2OC(=O)[C@@H]3OC)O1.
What is the InChIKey of (4R,4aS,7R,7aR)-7-methoxy-4-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
The InChIKey is AJGQBLVNLRDBGF-HDFDJLHMSA-N. The full InChI is InChI=1S/C13H20O8/c1-13(2)20-7(6-5-17-12(16-4)18-6)8-9(21-13)10(15-3)11(14)19-8/h6-10,12H,5H2,1-4H3/t6-,7-,8+,9-,10-,12?/m1/s1.
What are the key properties of (4R,4aS,7R,7aR)-7-methoxy-4-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
(4R,4aS,7R,7aR)-7-methoxy-4-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one has a molecular weight of 304.30 g/mol, XLogP of -0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aS,7R,7aR)-7-methoxy-4-[(4R)-2-methoxy-1,3-dioxolan-4-yl]-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one is sourced from PubChem (CID 135017172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).