(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-methyl-2-oxofuran-3-olate

C7H9O6- — CID 54750752

IUPAC(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-methyl-2-oxofuran-3-olate
SMILESC[C@]1([C@@H](O)CO)OC(=O)C([O-])=C1O
InChIInChI=1S/C7H10O6/c1-7(3(9)2-8)5(11)4(10)6(12)13-7/h3,8-11H,2H2,1H3/p-1/t3-,7+/m0/s1
InChIKeyCOBKSGNGDLRBNE-CLTAVNFZSA-M
MW189.14 g/mol
LogP-2.21
Rot. Bonds2

About (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-methyl-2-oxofuran-3-olate

(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-methyl-2-oxofuran-3-olate (PubChem CID 54750752) has the molecular formula C7H9O6- and a molecular weight of 189.14 g/mol. Its IUPAC name is (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-methyl-2-oxofuran-3-olate.

Molecular Properties

Compound Name(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-methyl-2-oxofuran-3-olate
PubChem CID54750752
Molecular FormulaC7H9O6-
Molecular Weight189.14 g/mol
Exact Mass189.04
IUPAC Name(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-methyl-2-oxofuran-3-olate
SMILESC[C@]1([C@@H](O)CO)OC(=O)C([O-])=C1O
InChIInChI=1S/C7H10O6/c1-7(3(9)2-8)5(11)4(10)6(12)13-7/h3,8-11H,2H2,1H3/p-1/t3-,7+/m0/s1
InChIKeyCOBKSGNGDLRBNE-CLTAVNFZSA-M
XLogP-2.21
TPSA110.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 5-2.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-methyl-2-oxofuran-3-olate?
The IUPAC name of (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-methyl-2-oxofuran-3-olate (CID 54750752) is (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-methyl-2-oxofuran-3-olate.
What is the SMILES notation for (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-methyl-2-oxofuran-3-olate?
The canonical SMILES for (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-methyl-2-oxofuran-3-olate is C[C@]1([C@@H](O)CO)OC(=O)C([O-])=C1O.
What is the InChIKey of (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-methyl-2-oxofuran-3-olate?
The InChIKey is COBKSGNGDLRBNE-CLTAVNFZSA-M. The full InChI is InChI=1S/C7H10O6/c1-7(3(9)2-8)5(11)4(10)6(12)13-7/h3,8-11H,2H2,1H3/p-1/t3-,7+/m0/s1.
What are the key properties of (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-methyl-2-oxofuran-3-olate?
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-methyl-2-oxofuran-3-olate has a molecular weight of 189.14 g/mol, XLogP of -2.21, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-methyl-2-oxofuran-3-olate is sourced from PubChem (CID 54750752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).