(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-methylfuran-2-one

C7H10O6 — CID 54750753

IUPAC(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-methylfuran-2-one
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/t3-,7+/m0/s1
InChIKeyCOBKSGNGDLRBNE-CLTAVNFZSA-N
MW190.15 g/mol
LogP-1.02
Rot. Bonds2

About (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-methylfuran-2-one

(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-methylfuran-2-one (PubChem CID 54750753) has the molecular formula C7H10O6 and a molecular weight of 190.15 g/mol. Its IUPAC name is (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-methylfuran-2-one.

Molecular Properties

Compound Name(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-methylfuran-2-one
PubChem CID54750753
Molecular FormulaC7H10O6
Molecular Weight190.15 g/mol
Exact Mass190.05
IUPAC Name(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-methylfuran-2-one
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/t3-,7+/m0/s1
InChIKeyCOBKSGNGDLRBNE-CLTAVNFZSA-N
XLogP-1.02
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-methylfuran-2-one?
The IUPAC name of (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-methylfuran-2-one (CID 54750753) is (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-methylfuran-2-one.
What is the SMILES notation for (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-methylfuran-2-one?
The canonical SMILES for (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-methylfuran-2-one is C[C@]1([C@@H](O)CO)OC(=O)C(O)=C1O.
What is the InChIKey of (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-methylfuran-2-one?
The InChIKey is COBKSGNGDLRBNE-CLTAVNFZSA-N. 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/t3-,7+/m0/s1.
What are the key properties of (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-methylfuran-2-one?
(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-methylfuran-2-one has a molecular weight of 190.15 g/mol, XLogP of -1.02, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-5-methylfuran-2-one is sourced from PubChem (CID 54750753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).