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

C11H18O7 — CID 10587536

IUPAC(4R,4aS,7R,7aR)-4-[(1R)-1,2-dihydroxyethyl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
SMILESCO[C@H]1C(=O)O[C@@H]2[C@H]1OC(C)(C)O[C@@H]2[C@H](O)CO
InChIInChI=1S/C11H18O7/c1-11(2)17-6(5(13)4-12)7-8(18-11)9(15-3)10(14)16-7/h5-9,12-13H,4H2,1-3H3/t5-,6-,7+,8-,9-/m1/s1
InChIKeyLVJBLYPUKBLXRU-SYHAXYEDSA-N
MW262.26 g/mol
LogP-1.20
Rot. Bonds3

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

(4R,4aS,7R,7aR)-4-[(1R)-1,2-dihydroxyethyl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one (PubChem CID 10587536) has the molecular formula C11H18O7 and a molecular weight of 262.26 g/mol. Its IUPAC name is (4R,4aS,7R,7aR)-4-[(1R)-1,2-dihydroxyethyl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one.

Molecular Properties

Compound Name(4R,4aS,7R,7aR)-4-[(1R)-1,2-dihydroxyethyl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
PubChem CID10587536
Molecular FormulaC11H18O7
Molecular Weight262.26 g/mol
Exact Mass262.11
IUPAC Name(4R,4aS,7R,7aR)-4-[(1R)-1,2-dihydroxyethyl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
SMILESCO[C@H]1C(=O)O[C@@H]2[C@H]1OC(C)(C)O[C@@H]2[C@H](O)CO
InChIInChI=1S/C11H18O7/c1-11(2)17-6(5(13)4-12)7-8(18-11)9(15-3)10(14)16-7/h5-9,12-13H,4H2,1-3H3/t5-,6-,7+,8-,9-/m1/s1
InChIKeyLVJBLYPUKBLXRU-SYHAXYEDSA-N
XLogP-1.20
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

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alpha-L-xylo-2-Hexulofuranosonic acid, 2,3:4,6-bis-O-(1-methylethylidene)-, monohydrate
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(2S,3S,4S,5R)-3,4,5-trihydroxy-6-pentoxyoxane-2-carboxylic acid
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(2S,3S,4S,5R)-6-butoxy-3,4,5-trihydroxyoxane-2-carboxylic acid
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alpha-D-Ko
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Frequently Asked Questions

What is the IUPAC name of (4R,4aS,7R,7aR)-4-[(1R)-1,2-dihydroxyethyl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
The IUPAC name of (4R,4aS,7R,7aR)-4-[(1R)-1,2-dihydroxyethyl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one (CID 10587536) is (4R,4aS,7R,7aR)-4-[(1R)-1,2-dihydroxyethyl]-7-methoxy-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)-4-[(1R)-1,2-dihydroxyethyl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
The canonical SMILES for (4R,4aS,7R,7aR)-4-[(1R)-1,2-dihydroxyethyl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one is CO[C@H]1C(=O)O[C@@H]2[C@H]1OC(C)(C)O[C@@H]2[C@H](O)CO.
What is the InChIKey of (4R,4aS,7R,7aR)-4-[(1R)-1,2-dihydroxyethyl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
The InChIKey is LVJBLYPUKBLXRU-SYHAXYEDSA-N. The full InChI is InChI=1S/C11H18O7/c1-11(2)17-6(5(13)4-12)7-8(18-11)9(15-3)10(14)16-7/h5-9,12-13H,4H2,1-3H3/t5-,6-,7+,8-,9-/m1/s1.
What are the key properties of (4R,4aS,7R,7aR)-4-[(1R)-1,2-dihydroxyethyl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
(4R,4aS,7R,7aR)-4-[(1R)-1,2-dihydroxyethyl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one has a molecular weight of 262.26 g/mol, XLogP of -1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aS,7R,7aR)-4-[(1R)-1,2-dihydroxyethyl]-7-methoxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one is sourced from PubChem (CID 10587536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).