(3aS,6aS)-6-[(1R)-1,2-dihydroxyethyl]-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one

C10H16O7 — CID 102205061

IUPAC(3aS,6aS)-6-[(1R)-1,2-dihydroxyethyl]-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
SMILESCC1(C)O[C@H]2C([C@H](O)CO)OC(=O)[C@@]2(CO)O1
InChIInChI=1S/C10H16O7/c1-9(2)16-7-6(5(13)3-11)15-8(14)10(7,4-12)17-9/h5-7,11-13H,3-4H2,1-2H3/t5-,6?,7+,10+/m1/s1
InChIKeyFKJAXXNLTNBICW-ZFPWSCSZSA-N
MW248.23 g/mol
LogP-1.85
Rot. Bonds3

About (3aS,6aS)-6-[(1R)-1,2-dihydroxyethyl]-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one

(3aS,6aS)-6-[(1R)-1,2-dihydroxyethyl]-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one (PubChem CID 102205061) has the molecular formula C10H16O7 and a molecular weight of 248.23 g/mol. Its IUPAC name is (3aS,6aS)-6-[(1R)-1,2-dihydroxyethyl]-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one.

Molecular Properties

Compound Name(3aS,6aS)-6-[(1R)-1,2-dihydroxyethyl]-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
PubChem CID102205061
Molecular FormulaC10H16O7
Molecular Weight248.23 g/mol
Exact Mass248.09
IUPAC Name(3aS,6aS)-6-[(1R)-1,2-dihydroxyethyl]-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one
SMILESCC1(C)O[C@H]2C([C@H](O)CO)OC(=O)[C@@]2(CO)O1
InChIInChI=1S/C10H16O7/c1-9(2)16-7-6(5(13)3-11)15-8(14)10(7,4-12)17-9/h5-7,11-13H,3-4H2,1-2H3/t5-,6?,7+,10+/m1/s1
InChIKeyFKJAXXNLTNBICW-ZFPWSCSZSA-N
XLogP-1.85
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
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 (3aS,6aS)-6-[(1R)-1,2-dihydroxyethyl]-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-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 (3aS,6aS)-6-[(1R)-1,2-dihydroxyethyl]-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one?
The IUPAC name of (3aS,6aS)-6-[(1R)-1,2-dihydroxyethyl]-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one (CID 102205061) is (3aS,6aS)-6-[(1R)-1,2-dihydroxyethyl]-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one.
What is the SMILES notation for (3aS,6aS)-6-[(1R)-1,2-dihydroxyethyl]-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one?
The canonical SMILES for (3aS,6aS)-6-[(1R)-1,2-dihydroxyethyl]-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one is CC1(C)O[C@H]2C([C@H](O)CO)OC(=O)[C@@]2(CO)O1.
What is the InChIKey of (3aS,6aS)-6-[(1R)-1,2-dihydroxyethyl]-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one?
The InChIKey is FKJAXXNLTNBICW-ZFPWSCSZSA-N. The full InChI is InChI=1S/C10H16O7/c1-9(2)16-7-6(5(13)3-11)15-8(14)10(7,4-12)17-9/h5-7,11-13H,3-4H2,1-2H3/t5-,6?,7+,10+/m1/s1.
What are the key properties of (3aS,6aS)-6-[(1R)-1,2-dihydroxyethyl]-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one?
(3aS,6aS)-6-[(1R)-1,2-dihydroxyethyl]-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one has a molecular weight of 248.23 g/mol, XLogP of -1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-6-[(1R)-1,2-dihydroxyethyl]-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydrofuro[3,4-d][1,3]dioxol-4-one is sourced from PubChem (CID 102205061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).