(3aR)-4-(2,3-dihydroxypropoxy)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C10H16O6 — CID 70389711

IUPAC(3aR)-4-(2,3-dihydroxypropoxy)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESO=C1C[C@@H]2C(CC(O)C2OCC(O)CO)O1
InChIInChI=1S/C10H16O6/c11-3-5(12)4-15-10-6-1-9(14)16-8(6)2-7(10)13/h5-8,10-13H,1-4H2/t5?,6-,7?,8?,10?/m1/s1
InChIKeyJUKJPZKLMQYCQX-QKAAOOCXSA-N
MW232.23 g/mol
LogP-1.58
Rot. Bonds4

About (3aR)-4-(2,3-dihydroxypropoxy)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

(3aR)-4-(2,3-dihydroxypropoxy)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 70389711) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is (3aR)-4-(2,3-dihydroxypropoxy)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aR)-4-(2,3-dihydroxypropoxy)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID70389711
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name(3aR)-4-(2,3-dihydroxypropoxy)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESO=C1C[C@@H]2C(CC(O)C2OCC(O)CO)O1
InChIInChI=1S/C10H16O6/c11-3-5(12)4-15-10-6-1-9(14)16-8(6)2-7(10)13/h5-8,10-13H,1-4H2/t5?,6-,7?,8?,10?/m1/s1
InChIKeyJUKJPZKLMQYCQX-QKAAOOCXSA-N
XLogP-1.58
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3aR)-4-(2,3-dihydroxypropoxy)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-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 (3aR)-4-(2,3-dihydroxypropoxy)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of (3aR)-4-(2,3-dihydroxypropoxy)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 70389711) is (3aR)-4-(2,3-dihydroxypropoxy)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3aR)-4-(2,3-dihydroxypropoxy)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3aR)-4-(2,3-dihydroxypropoxy)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is O=C1C[C@@H]2C(CC(O)C2OCC(O)CO)O1.
What is the InChIKey of (3aR)-4-(2,3-dihydroxypropoxy)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is JUKJPZKLMQYCQX-QKAAOOCXSA-N. The full InChI is InChI=1S/C10H16O6/c11-3-5(12)4-15-10-6-1-9(14)16-8(6)2-7(10)13/h5-8,10-13H,1-4H2/t5?,6-,7?,8?,10?/m1/s1.
What are the key properties of (3aR)-4-(2,3-dihydroxypropoxy)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
(3aR)-4-(2,3-dihydroxypropoxy)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 232.23 g/mol, XLogP of -1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-4-(2,3-dihydroxypropoxy)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 70389711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).