(4R,5S,6R)-6-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[c]furan-4,5-diol

C9H12O4 — CID 5318702

IUPAC(4R,5S,6R)-6-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[c]furan-4,5-diol
SMILESOCC[C@@H]1c2cocc2[C@@H](O)[C@H]1O
InChIInChI=1S/C9H12O4/c10-2-1-5-6-3-13-4-7(6)9(12)8(5)11/h3-5,8-12H,1-2H2/t5-,8+,9-/m1/s1
InChIKeyRMJMFPNPBUGUMP-HFHMMWAZSA-N
MW184.19 g/mol
LogP0.15
Rot. Bonds2

About (4R,5S,6R)-6-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[c]furan-4,5-diol

(4R,5S,6R)-6-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[c]furan-4,5-diol (PubChem CID 5318702) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is (4R,5S,6R)-6-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[c]furan-4,5-diol.

Molecular Properties

Compound Name(4R,5S,6R)-6-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[c]furan-4,5-diol
PubChem CID5318702
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name(4R,5S,6R)-6-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[c]furan-4,5-diol
SMILESOCC[C@@H]1c2cocc2[C@@H](O)[C@H]1O
InChIInChI=1S/C9H12O4/c10-2-1-5-6-3-13-4-7(6)9(12)8(5)11/h3-5,8-12H,1-2H2/t5-,8+,9-/m1/s1
InChIKeyRMJMFPNPBUGUMP-HFHMMWAZSA-N
XLogP0.15
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5S,6R)-6-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[c]furan-4,5-diol?
The IUPAC name of (4R,5S,6R)-6-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[c]furan-4,5-diol (CID 5318702) is (4R,5S,6R)-6-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[c]furan-4,5-diol.
What is the SMILES notation for (4R,5S,6R)-6-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[c]furan-4,5-diol?
The canonical SMILES for (4R,5S,6R)-6-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[c]furan-4,5-diol is OCC[C@@H]1c2cocc2[C@@H](O)[C@H]1O.
What is the InChIKey of (4R,5S,6R)-6-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[c]furan-4,5-diol?
The InChIKey is RMJMFPNPBUGUMP-HFHMMWAZSA-N. The full InChI is InChI=1S/C9H12O4/c10-2-1-5-6-3-13-4-7(6)9(12)8(5)11/h3-5,8-12H,1-2H2/t5-,8+,9-/m1/s1.
What are the key properties of (4R,5S,6R)-6-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[c]furan-4,5-diol?
(4R,5S,6R)-6-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[c]furan-4,5-diol has a molecular weight of 184.19 g/mol, XLogP of 0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S,6R)-6-(2-hydroxyethyl)-5,6-dihydro-4H-cyclopenta[c]furan-4,5-diol is sourced from PubChem (CID 5318702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).