(3R,4S,5R)-5-[(3R,4R,5S)-4,5-dihydroxy-3,5-dimethyloxolan-2-yl]-4-hydroxy-3,5-dimethyloxolan-2-one

C12H20O6 — CID 169492344

IUPAC(3R,4S,5R)-5-[(3R,4R,5S)-4,5-dihydroxy-3,5-dimethyloxolan-2-yl]-4-hydroxy-3,5-dimethyloxolan-2-one
SMILESC[C@H]1C(=O)O[C@@](C)(C2O[C@](C)(O)[C@H](O)[C@H]2C)[C@H]1O
InChIInChI=1S/C12H20O6/c1-5-8(14)12(4,16)17-9(5)11(3)7(13)6(2)10(15)18-11/h5-9,13-14,16H,1-4H3/t5-,6-,7+,8-,9?,11-,12+/m1/s1
InChIKeyAVAWQJCEESYVCC-SQLZSLSKSA-N
MW260.29 g/mol
LogP-0.60
Rot. Bonds1

About (3R,4S,5R)-5-[(3R,4R,5S)-4,5-dihydroxy-3,5-dimethyloxolan-2-yl]-4-hydroxy-3,5-dimethyloxolan-2-one

(3R,4S,5R)-5-[(3R,4R,5S)-4,5-dihydroxy-3,5-dimethyloxolan-2-yl]-4-hydroxy-3,5-dimethyloxolan-2-one (PubChem CID 169492344) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is (3R,4S,5R)-5-[(3R,4R,5S)-4,5-dihydroxy-3,5-dimethyloxolan-2-yl]-4-hydroxy-3,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name(3R,4S,5R)-5-[(3R,4R,5S)-4,5-dihydroxy-3,5-dimethyloxolan-2-yl]-4-hydroxy-3,5-dimethyloxolan-2-one
PubChem CID169492344
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Name(3R,4S,5R)-5-[(3R,4R,5S)-4,5-dihydroxy-3,5-dimethyloxolan-2-yl]-4-hydroxy-3,5-dimethyloxolan-2-one
SMILESC[C@H]1C(=O)O[C@@](C)(C2O[C@](C)(O)[C@H](O)[C@H]2C)[C@H]1O
InChIInChI=1S/C12H20O6/c1-5-8(14)12(4,16)17-9(5)11(3)7(13)6(2)10(15)18-11/h5-9,13-14,16H,1-4H3/t5-,6-,7+,8-,9?,11-,12+/m1/s1
InChIKeyAVAWQJCEESYVCC-SQLZSLSKSA-N
XLogP-0.60
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3R,4S,5R)-5-[(3R,4R,5S)-4,5-dihydroxy-3,5-dimethyloxolan-2-yl]-4-hydroxy-3,5-dimethyloxolan-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 (3R,4S,5R)-5-[(3R,4R,5S)-4,5-dihydroxy-3,5-dimethyloxolan-2-yl]-4-hydroxy-3,5-dimethyloxolan-2-one?
The IUPAC name of (3R,4S,5R)-5-[(3R,4R,5S)-4,5-dihydroxy-3,5-dimethyloxolan-2-yl]-4-hydroxy-3,5-dimethyloxolan-2-one (CID 169492344) is (3R,4S,5R)-5-[(3R,4R,5S)-4,5-dihydroxy-3,5-dimethyloxolan-2-yl]-4-hydroxy-3,5-dimethyloxolan-2-one.
What is the SMILES notation for (3R,4S,5R)-5-[(3R,4R,5S)-4,5-dihydroxy-3,5-dimethyloxolan-2-yl]-4-hydroxy-3,5-dimethyloxolan-2-one?
The canonical SMILES for (3R,4S,5R)-5-[(3R,4R,5S)-4,5-dihydroxy-3,5-dimethyloxolan-2-yl]-4-hydroxy-3,5-dimethyloxolan-2-one is C[C@H]1C(=O)O[C@@](C)(C2O[C@](C)(O)[C@H](O)[C@H]2C)[C@H]1O.
What is the InChIKey of (3R,4S,5R)-5-[(3R,4R,5S)-4,5-dihydroxy-3,5-dimethyloxolan-2-yl]-4-hydroxy-3,5-dimethyloxolan-2-one?
The InChIKey is AVAWQJCEESYVCC-SQLZSLSKSA-N. The full InChI is InChI=1S/C12H20O6/c1-5-8(14)12(4,16)17-9(5)11(3)7(13)6(2)10(15)18-11/h5-9,13-14,16H,1-4H3/t5-,6-,7+,8-,9?,11-,12+/m1/s1.
What are the key properties of (3R,4S,5R)-5-[(3R,4R,5S)-4,5-dihydroxy-3,5-dimethyloxolan-2-yl]-4-hydroxy-3,5-dimethyloxolan-2-one?
(3R,4S,5R)-5-[(3R,4R,5S)-4,5-dihydroxy-3,5-dimethyloxolan-2-yl]-4-hydroxy-3,5-dimethyloxolan-2-one has a molecular weight of 260.29 g/mol, XLogP of -0.60, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-5-[(3R,4R,5S)-4,5-dihydroxy-3,5-dimethyloxolan-2-yl]-4-hydroxy-3,5-dimethyloxolan-2-one is sourced from PubChem (CID 169492344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).