(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one

C6H8O5 — CID 102600573

IUPAC(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one
SMILESO=C1C=C(O)[C@@H]([C@@H](O)CO)O1
InChIInChI=1S/C6H8O5/c7-2-4(9)6-3(8)1-5(10)11-6/h1,4,6-9H,2H2/t4-,6-/m0/s1
InChIKeyHUCQJHXRPKZZIZ-NJGYIYPDSA-N
MW160.12 g/mol
LogP-1.29
Rot. Bonds2

About (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one

(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one (PubChem CID 102600573) has the molecular formula C6H8O5 and a molecular weight of 160.12 g/mol. Its IUPAC name is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one
PubChem CID102600573
Molecular FormulaC6H8O5
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one
SMILESO=C1C=C(O)[C@@H]([C@@H](O)CO)O1
InChIInChI=1S/C6H8O5/c7-2-4(9)6-3(8)1-5(10)11-6/h1,4,6-9H,2H2/t4-,6-/m0/s1
InChIKeyHUCQJHXRPKZZIZ-NJGYIYPDSA-N
XLogP-1.29
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one (CID 102600573) is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one is O=C1C=C(O)[C@@H]([C@@H](O)CO)O1.
What is the InChIKey of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one?
The InChIKey is HUCQJHXRPKZZIZ-NJGYIYPDSA-N. The full InChI is InChI=1S/C6H8O5/c7-2-4(9)6-3(8)1-5(10)11-6/h1,4,6-9H,2H2/t4-,6-/m0/s1.
What are the key properties of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one?
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one has a molecular weight of 160.12 g/mol, XLogP of -1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one is sourced from PubChem (CID 102600573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).