2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one

C7H10O6 — CID 3082037

IUPAC2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one
SMILESCOC1=C(O)C(=O)OC1[C@@H](O)CO
InChIInChI=1S/C7H10O6/c1-12-6-4(10)7(11)13-5(6)3(9)2-8/h3,5,8-10H,2H2,1H3/t3-,5?/m0/s1
InChIKeyHFSCYDMAVALOIA-WWLRPLJCSA-N
MW190.15 g/mol
LogP-1.32
Rot. Bonds3

About 2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one

2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one (PubChem CID 3082037) has the molecular formula C7H10O6 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one.

Molecular Properties

Compound Name2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one
PubChem CID3082037
Molecular FormulaC7H10O6
Molecular Weight190.15 g/mol
Exact Mass190.05
IUPAC Name2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one
SMILESCOC1=C(O)C(=O)OC1[C@@H](O)CO
InChIInChI=1S/C7H10O6/c1-12-6-4(10)7(11)13-5(6)3(9)2-8/h3,5,8-10H,2H2,1H3/t3-,5?/m0/s1
InChIKeyHFSCYDMAVALOIA-WWLRPLJCSA-N
XLogP-1.32
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one?
The IUPAC name of 2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one (CID 3082037) is 2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one.
What is the SMILES notation for 2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one?
The canonical SMILES for 2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one is COC1=C(O)C(=O)OC1[C@@H](O)CO.
What is the InChIKey of 2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one?
The InChIKey is HFSCYDMAVALOIA-WWLRPLJCSA-N. The full InChI is InChI=1S/C7H10O6/c1-12-6-4(10)7(11)13-5(6)3(9)2-8/h3,5,8-10H,2H2,1H3/t3-,5?/m0/s1.
What are the key properties of 2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one?
2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one has a molecular weight of 190.15 g/mol, XLogP of -1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-methoxy-2H-furan-5-one is sourced from PubChem (CID 3082037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).