(2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-(3-methylbutoxy)ethyl]-2H-furan-5-one

C11H18O6 — CID 54685948

IUPAC(2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-(3-methylbutoxy)ethyl]-2H-furan-5-one
SMILESCC(C)CCOC[C@@H](O)[C@H]1OC(=O)C(O)=C1O
InChIInChI=1S/C11H18O6/c1-6(2)3-4-16-5-7(12)10-8(13)9(14)11(15)17-10/h6-7,10,12-14H,3-5H2,1-2H3/t7-,10-/m1/s1
InChIKeyUQSRQPDSWKCPJA-GMSGAONNSA-N
MW246.26 g/mol
LogP0.66
Rot. Bonds6

About (2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-(3-methylbutoxy)ethyl]-2H-furan-5-one

(2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-(3-methylbutoxy)ethyl]-2H-furan-5-one (PubChem CID 54685948) has the molecular formula C11H18O6 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-(3-methylbutoxy)ethyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-(3-methylbutoxy)ethyl]-2H-furan-5-one
PubChem CID54685948
Molecular FormulaC11H18O6
Molecular Weight246.26 g/mol
Exact Mass246.11
IUPAC Name(2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-(3-methylbutoxy)ethyl]-2H-furan-5-one
SMILESCC(C)CCOC[C@@H](O)[C@H]1OC(=O)C(O)=C1O
InChIInChI=1S/C11H18O6/c1-6(2)3-4-16-5-7(12)10-8(13)9(14)11(15)17-10/h6-7,10,12-14H,3-5H2,1-2H3/t7-,10-/m1/s1
InChIKeyUQSRQPDSWKCPJA-GMSGAONNSA-N
XLogP0.66
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-(3-methylbutoxy)ethyl]-2H-furan-5-one?
The IUPAC name of (2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-(3-methylbutoxy)ethyl]-2H-furan-5-one (CID 54685948) is (2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-(3-methylbutoxy)ethyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-(3-methylbutoxy)ethyl]-2H-furan-5-one?
The canonical SMILES for (2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-(3-methylbutoxy)ethyl]-2H-furan-5-one is CC(C)CCOC[C@@H](O)[C@H]1OC(=O)C(O)=C1O.
What is the InChIKey of (2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-(3-methylbutoxy)ethyl]-2H-furan-5-one?
The InChIKey is UQSRQPDSWKCPJA-GMSGAONNSA-N. The full InChI is InChI=1S/C11H18O6/c1-6(2)3-4-16-5-7(12)10-8(13)9(14)11(15)17-10/h6-7,10,12-14H,3-5H2,1-2H3/t7-,10-/m1/s1.
What are the key properties of (2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-(3-methylbutoxy)ethyl]-2H-furan-5-one?
(2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-(3-methylbutoxy)ethyl]-2H-furan-5-one has a molecular weight of 246.26 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,4-dihydroxy-2-[(1R)-1-hydroxy-2-(3-methylbutoxy)ethyl]-2H-furan-5-one is sourced from PubChem (CID 54685948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).