(4R,5R)-5-hydroxy-4-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one

C9H12O4 — CID 10702623

IUPAC(4R,5R)-5-hydroxy-4-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one
SMILESO=C1OCC2=C1[C@@H](CCO)[C@H](O)C2
InChIInChI=1S/C9H12O4/c10-2-1-6-7(11)3-5-4-13-9(12)8(5)6/h6-7,10-11H,1-4H2/t6-,7+/m0/s1
InChIKeyIVRPRMNKXQYVJC-NKWVEPMBSA-N
MW184.19 g/mol
LogP-0.40
Rot. Bonds2

About (4R,5R)-5-hydroxy-4-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one

(4R,5R)-5-hydroxy-4-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one (PubChem CID 10702623) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is (4R,5R)-5-hydroxy-4-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one.

Molecular Properties

Compound Name(4R,5R)-5-hydroxy-4-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one
PubChem CID10702623
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name(4R,5R)-5-hydroxy-4-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one
SMILESO=C1OCC2=C1[C@@H](CCO)[C@H](O)C2
InChIInChI=1S/C9H12O4/c10-2-1-6-7(11)3-5-4-13-9(12)8(5)6/h6-7,10-11H,1-4H2/t6-,7+/m0/s1
InChIKeyIVRPRMNKXQYVJC-NKWVEPMBSA-N
XLogP-0.40
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-hydroxy-4-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one?
The IUPAC name of (4R,5R)-5-hydroxy-4-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one (CID 10702623) is (4R,5R)-5-hydroxy-4-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one.
What is the SMILES notation for (4R,5R)-5-hydroxy-4-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one?
The canonical SMILES for (4R,5R)-5-hydroxy-4-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one is O=C1OCC2=C1[C@@H](CCO)[C@H](O)C2.
What is the InChIKey of (4R,5R)-5-hydroxy-4-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one?
The InChIKey is IVRPRMNKXQYVJC-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H12O4/c10-2-1-6-7(11)3-5-4-13-9(12)8(5)6/h6-7,10-11H,1-4H2/t6-,7+/m0/s1.
What are the key properties of (4R,5R)-5-hydroxy-4-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one?
(4R,5R)-5-hydroxy-4-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one has a molecular weight of 184.19 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-hydroxy-4-(2-hydroxyethyl)-1,4,5,6-tetrahydrocyclopenta[c]furan-3-one is sourced from PubChem (CID 10702623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).