(3aS,4R,6aR)-2,2-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiol-4-ol

C5H8O5S — CID 10899265

IUPAC(3aS,4R,6aR)-2,2-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiol-4-ol
SMILESO=S1(=O)O[C@H]2[C@H](O)CC[C@H]2O1
InChIInChI=1S/C5H8O5S/c6-3-1-2-4-5(3)10-11(7,8)9-4/h3-6H,1-2H2/t3-,4-,5+/m1/s1
InChIKeyYXMCEBOUWXUGAB-WDCZJNDASA-N
MW180.18 g/mol
LogP-0.83
Rot. Bonds

About (3aS,4R,6aR)-2,2-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiol-4-ol

(3aS,4R,6aR)-2,2-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiol-4-ol (PubChem CID 10899265) has the molecular formula C5H8O5S and a molecular weight of 180.18 g/mol. Its IUPAC name is (3aS,4R,6aR)-2,2-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiol-4-ol.

Molecular Properties

Compound Name(3aS,4R,6aR)-2,2-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiol-4-ol
PubChem CID10899265
Molecular FormulaC5H8O5S
Molecular Weight180.18 g/mol
Exact Mass180.01
IUPAC Name(3aS,4R,6aR)-2,2-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiol-4-ol
SMILESO=S1(=O)O[C@H]2[C@H](O)CC[C@H]2O1
InChIInChI=1S/C5H8O5S/c6-3-1-2-4-5(3)10-11(7,8)9-4/h3-6H,1-2H2/t3-,4-,5+/m1/s1
InChIKeyYXMCEBOUWXUGAB-WDCZJNDASA-N
XLogP-0.83
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aS,4R,6aR)-2,2-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiol-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aR,6aS)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiole 2,2-dioxide
CID 11275189
(1S,2R,5R,6R)-7-oxabicyclo[4.1.0]heptane-2,5-diol
CID 11829468
(1S,2R,5R,6R)-9-oxabicyclo[4.2.1]nonane-2,5-diol
CID 93481856
(4S,6S)-4,6-dicyclohexyl-1,3,2-dioxathiane 2,2-dioxide
CID 134886146
(1R,2R,6R)-7-oxabicyclo[4.1.0]heptan-2-ol
CID 98116091
(1S,6R)-7-oxabicyclo[4.1.0]heptan-2-ol
CID 10996994
tert-butyl 2,2-dioxo-3a,4,5,7,8,8a-hexahydro-[1,3,2]dioxathiolo[4,5-d]azepine-6-carboxylate
CID 164860569
(1R,2S,8S)-9-oxabicyclo[6.1.0]nonan-2-ol
CID 92974259
(1S,8R)-9-oxabicyclo[6.1.0]nonan-2-ol
CID 11435006
[(4S,7S)-7-(hydroxymethyl)-2,2-dioxo-1,3,2-dioxathiepan-4-yl]methanol
CID 15417110
2,7-dioxatricyclo[4.4.0.03,8]decan-4-ol
CID 130124205
(3aR,5S,7aS)-5-azido-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]dioxathiole 2,2-dioxide
CID 10976952

Frequently Asked Questions

What is the IUPAC name of (3aS,4R,6aR)-2,2-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiol-4-ol?
The IUPAC name of (3aS,4R,6aR)-2,2-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiol-4-ol (CID 10899265) is (3aS,4R,6aR)-2,2-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiol-4-ol.
What is the SMILES notation for (3aS,4R,6aR)-2,2-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiol-4-ol?
The canonical SMILES for (3aS,4R,6aR)-2,2-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiol-4-ol is O=S1(=O)O[C@H]2[C@H](O)CC[C@H]2O1.
What is the InChIKey of (3aS,4R,6aR)-2,2-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiol-4-ol?
The InChIKey is YXMCEBOUWXUGAB-WDCZJNDASA-N. The full InChI is InChI=1S/C5H8O5S/c6-3-1-2-4-5(3)10-11(7,8)9-4/h3-6H,1-2H2/t3-,4-,5+/m1/s1.
What are the key properties of (3aS,4R,6aR)-2,2-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiol-4-ol?
(3aS,4R,6aR)-2,2-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiol-4-ol has a molecular weight of 180.18 g/mol, XLogP of -0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,6aR)-2,2-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxathiol-4-ol is sourced from PubChem (CID 10899265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).