(3aR,6aR)-4-[(4S)-2-oxo-1,3-dioxolan-4-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-one

C8H8O7 — CID 156664204

IUPAC(3aR,6aR)-4-[(4S)-2-oxo-1,3-dioxolan-4-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-one
SMILESO=C1OC[C@@H](C2OC[C@H]3OC(=O)O[C@@H]23)O1
InChIInChI=1S/C8H8O7/c9-7-12-2-3(13-7)5-6-4(1-11-5)14-8(10)15-6/h3-6H,1-2H2/t3-,4+,5?,6+/m0/s1
InChIKeyMEZPDUFWTFNCBY-KIFFQIORSA-N
MW216.14 g/mol
LogP-0.18
Rot. Bonds1

About (3aR,6aR)-4-[(4S)-2-oxo-1,3-dioxolan-4-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-one

(3aR,6aR)-4-[(4S)-2-oxo-1,3-dioxolan-4-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-one (PubChem CID 156664204) has the molecular formula C8H8O7 and a molecular weight of 216.14 g/mol. Its IUPAC name is (3aR,6aR)-4-[(4S)-2-oxo-1,3-dioxolan-4-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-one.

Molecular Properties

Compound Name(3aR,6aR)-4-[(4S)-2-oxo-1,3-dioxolan-4-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-one
PubChem CID156664204
Molecular FormulaC8H8O7
Molecular Weight216.14 g/mol
Exact Mass216.03
IUPAC Name(3aR,6aR)-4-[(4S)-2-oxo-1,3-dioxolan-4-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-one
SMILESO=C1OC[C@@H](C2OC[C@H]3OC(=O)O[C@@H]23)O1
InChIInChI=1S/C8H8O7/c9-7-12-2-3(13-7)5-6-4(1-11-5)14-8(10)15-6/h3-6H,1-2H2/t3-,4+,5?,6+/m0/s1
InChIKeyMEZPDUFWTFNCBY-KIFFQIORSA-N
XLogP-0.18
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.14
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3aR,6aR)-4-[(4S)-2-oxo-1,3-dioxolan-4-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-4-[(4S)-2-oxo-1,3-dioxolan-4-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-one?
The IUPAC name of (3aR,6aR)-4-[(4S)-2-oxo-1,3-dioxolan-4-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-one (CID 156664204) is (3aR,6aR)-4-[(4S)-2-oxo-1,3-dioxolan-4-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-one.
What is the SMILES notation for (3aR,6aR)-4-[(4S)-2-oxo-1,3-dioxolan-4-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-one?
The canonical SMILES for (3aR,6aR)-4-[(4S)-2-oxo-1,3-dioxolan-4-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-one is O=C1OC[C@@H](C2OC[C@H]3OC(=O)O[C@@H]23)O1.
What is the InChIKey of (3aR,6aR)-4-[(4S)-2-oxo-1,3-dioxolan-4-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-one?
The InChIKey is MEZPDUFWTFNCBY-KIFFQIORSA-N. The full InChI is InChI=1S/C8H8O7/c9-7-12-2-3(13-7)5-6-4(1-11-5)14-8(10)15-6/h3-6H,1-2H2/t3-,4+,5?,6+/m0/s1.
What are the key properties of (3aR,6aR)-4-[(4S)-2-oxo-1,3-dioxolan-4-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-one?
(3aR,6aR)-4-[(4S)-2-oxo-1,3-dioxolan-4-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-one has a molecular weight of 216.14 g/mol, XLogP of -0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-4-[(4S)-2-oxo-1,3-dioxolan-4-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-2-one is sourced from PubChem (CID 156664204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).