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

C10H16O7 — CID 135017031

IUPAC(7R,7aS)-4-[(1R)-1,2-dihydroxyethyl]-7-hydroxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
SMILESCC1(C)OC([C@H](O)CO)C2OC(=O)[C@H](O)[C@@H]2O1
InChIInChI=1S/C10H16O7/c1-10(2)16-6(4(12)3-11)8-7(17-10)5(13)9(14)15-8/h4-8,11-13H,3H2,1-2H3/t4-,5-,6?,7+,8?/m1/s1
InChIKeyVNWZDEHQBWMJEY-IWEDHHNFSA-N
MW248.23 g/mol
LogP-1.85
Rot. Bonds2

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

(7R,7aS)-4-[(1R)-1,2-dihydroxyethyl]-7-hydroxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one (PubChem CID 135017031) has the molecular formula C10H16O7 and a molecular weight of 248.23 g/mol. Its IUPAC name is (7R,7aS)-4-[(1R)-1,2-dihydroxyethyl]-7-hydroxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one.

Molecular Properties

Compound Name(7R,7aS)-4-[(1R)-1,2-dihydroxyethyl]-7-hydroxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
PubChem CID135017031
Molecular FormulaC10H16O7
Molecular Weight248.23 g/mol
Exact Mass248.09
IUPAC Name(7R,7aS)-4-[(1R)-1,2-dihydroxyethyl]-7-hydroxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one
SMILESCC1(C)OC([C@H](O)CO)C2OC(=O)[C@H](O)[C@@H]2O1
InChIInChI=1S/C10H16O7/c1-10(2)16-6(4(12)3-11)8-7(17-10)5(13)9(14)15-8/h4-8,11-13H,3H2,1-2H3/t4-,5-,6?,7+,8?/m1/s1
InChIKeyVNWZDEHQBWMJEY-IWEDHHNFSA-N
XLogP-1.85
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-1.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (7R,7aS)-4-[(1R)-1,2-dihydroxyethyl]-7-hydroxy-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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Frequently Asked Questions

What is the IUPAC name of (7R,7aS)-4-[(1R)-1,2-dihydroxyethyl]-7-hydroxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
The IUPAC name of (7R,7aS)-4-[(1R)-1,2-dihydroxyethyl]-7-hydroxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one (CID 135017031) is (7R,7aS)-4-[(1R)-1,2-dihydroxyethyl]-7-hydroxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one.
What is the SMILES notation for (7R,7aS)-4-[(1R)-1,2-dihydroxyethyl]-7-hydroxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
The canonical SMILES for (7R,7aS)-4-[(1R)-1,2-dihydroxyethyl]-7-hydroxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one is CC1(C)OC([C@H](O)CO)C2OC(=O)[C@H](O)[C@@H]2O1.
What is the InChIKey of (7R,7aS)-4-[(1R)-1,2-dihydroxyethyl]-7-hydroxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
The InChIKey is VNWZDEHQBWMJEY-IWEDHHNFSA-N. The full InChI is InChI=1S/C10H16O7/c1-10(2)16-6(4(12)3-11)8-7(17-10)5(13)9(14)15-8/h4-8,11-13H,3H2,1-2H3/t4-,5-,6?,7+,8?/m1/s1.
What are the key properties of (7R,7aS)-4-[(1R)-1,2-dihydroxyethyl]-7-hydroxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one?
(7R,7aS)-4-[(1R)-1,2-dihydroxyethyl]-7-hydroxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one has a molecular weight of 248.23 g/mol, XLogP of -1.85, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,7aS)-4-[(1R)-1,2-dihydroxyethyl]-7-hydroxy-2,2-dimethyl-4,4a,7,7a-tetrahydrofuro[3,2-d][1,3]dioxin-6-one is sourced from PubChem (CID 135017031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).