(2R)-2-[(1S,2S,3R)-1,2-dihydroxy-3-methoxybutyl]-4-methyl-2H-furan-5-one

C10H16O5 — CID 139583832

IUPAC(2R)-2-[(1S,2S,3R)-1,2-dihydroxy-3-methoxybutyl]-4-methyl-2H-furan-5-one
SMILESCO[C@H](C)[C@@H](O)[C@H](O)[C@H]1C=C(C)C(=O)O1
InChIInChI=1S/C10H16O5/c1-5-4-7(15-10(5)13)9(12)8(11)6(2)14-3/h4,6-9,11-12H,1-3H3/t6-,7-,8-,9-/m1/s1
InChIKeyFUNQMDCXBHDBED-FNCVBFRFSA-N
MW216.23 g/mol
LogP-0.39
Rot. Bonds4

About (2R)-2-[(1S,2S,3R)-1,2-dihydroxy-3-methoxybutyl]-4-methyl-2H-furan-5-one

(2R)-2-[(1S,2S,3R)-1,2-dihydroxy-3-methoxybutyl]-4-methyl-2H-furan-5-one (PubChem CID 139583832) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (2R)-2-[(1S,2S,3R)-1,2-dihydroxy-3-methoxybutyl]-4-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1S,2S,3R)-1,2-dihydroxy-3-methoxybutyl]-4-methyl-2H-furan-5-one
PubChem CID139583832
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(2R)-2-[(1S,2S,3R)-1,2-dihydroxy-3-methoxybutyl]-4-methyl-2H-furan-5-one
SMILESCO[C@H](C)[C@@H](O)[C@H](O)[C@H]1C=C(C)C(=O)O1
InChIInChI=1S/C10H16O5/c1-5-4-7(15-10(5)13)9(12)8(11)6(2)14-3/h4,6-9,11-12H,1-3H3/t6-,7-,8-,9-/m1/s1
InChIKeyFUNQMDCXBHDBED-FNCVBFRFSA-N
XLogP-0.39
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S,2S,3R)-1,2-dihydroxy-3-methoxybutyl]-4-methyl-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1S,2S,3R)-1,2-dihydroxy-3-methoxybutyl]-4-methyl-2H-furan-5-one (CID 139583832) is (2R)-2-[(1S,2S,3R)-1,2-dihydroxy-3-methoxybutyl]-4-methyl-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1S,2S,3R)-1,2-dihydroxy-3-methoxybutyl]-4-methyl-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1S,2S,3R)-1,2-dihydroxy-3-methoxybutyl]-4-methyl-2H-furan-5-one is CO[C@H](C)[C@@H](O)[C@H](O)[C@H]1C=C(C)C(=O)O1.
What is the InChIKey of (2R)-2-[(1S,2S,3R)-1,2-dihydroxy-3-methoxybutyl]-4-methyl-2H-furan-5-one?
The InChIKey is FUNQMDCXBHDBED-FNCVBFRFSA-N. The full InChI is InChI=1S/C10H16O5/c1-5-4-7(15-10(5)13)9(12)8(11)6(2)14-3/h4,6-9,11-12H,1-3H3/t6-,7-,8-,9-/m1/s1.
What are the key properties of (2R)-2-[(1S,2S,3R)-1,2-dihydroxy-3-methoxybutyl]-4-methyl-2H-furan-5-one?
(2R)-2-[(1S,2S,3R)-1,2-dihydroxy-3-methoxybutyl]-4-methyl-2H-furan-5-one has a molecular weight of 216.23 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S,2S,3R)-1,2-dihydroxy-3-methoxybutyl]-4-methyl-2H-furan-5-one is sourced from PubChem (CID 139583832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).