1-[(3aR,5S)-6-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol

C10H18O6 — CID 134833070

IUPAC1-[(3aR,5S)-6-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
SMILESCC1(C)OC2C(CO)[C@@H](C(O)CO)O[C@@H]2O1
InChIInChI=1S/C10H18O6/c1-10(2)15-8-5(3-11)7(6(13)4-12)14-9(8)16-10/h5-9,11-13H,3-4H2,1-2H3/t5?,6?,7-,8?,9+/m0/s1
InChIKeyQJSMXYJSNILLEJ-YRFAFKMKSA-N
MW234.25 g/mol
LogP-1.18
Rot. Bonds3

About 1-[(3aR,5S)-6-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol

1-[(3aR,5S)-6-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol (PubChem CID 134833070) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-[(3aR,5S)-6-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[(3aR,5S)-6-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
PubChem CID134833070
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Name1-[(3aR,5S)-6-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
SMILESCC1(C)OC2C(CO)[C@@H](C(O)CO)O[C@@H]2O1
InChIInChI=1S/C10H18O6/c1-10(2)15-8-5(3-11)7(6(13)4-12)14-9(8)16-10/h5-9,11-13H,3-4H2,1-2H3/t5?,6?,7-,8?,9+/m0/s1
InChIKeyQJSMXYJSNILLEJ-YRFAFKMKSA-N
XLogP-1.18
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(3aR,5S)-6-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol 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 1-[(3aR,5S)-6-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol?
The IUPAC name of 1-[(3aR,5S)-6-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol (CID 134833070) is 1-[(3aR,5S)-6-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[(3aR,5S)-6-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol?
The canonical SMILES for 1-[(3aR,5S)-6-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol is CC1(C)OC2C(CO)[C@@H](C(O)CO)O[C@@H]2O1.
What is the InChIKey of 1-[(3aR,5S)-6-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol?
The InChIKey is QJSMXYJSNILLEJ-YRFAFKMKSA-N. The full InChI is InChI=1S/C10H18O6/c1-10(2)15-8-5(3-11)7(6(13)4-12)14-9(8)16-10/h5-9,11-13H,3-4H2,1-2H3/t5?,6?,7-,8?,9+/m0/s1.
What are the key properties of 1-[(3aR,5S)-6-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol?
1-[(3aR,5S)-6-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol has a molecular weight of 234.25 g/mol, XLogP of -1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aR,5S)-6-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol is sourced from PubChem (CID 134833070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).