(2R)-2-[(1S)-1,2-dihydroxy-3-oxobutyl]-4-(2,3-dihydroxypropoxy)-3-hydroxy-2H-furan-5-one

C11H16O9 — CID 169209828

IUPAC(2R)-2-[(1S)-1,2-dihydroxy-3-oxobutyl]-4-(2,3-dihydroxypropoxy)-3-hydroxy-2H-furan-5-one
SMILESCC(=O)C(O)[C@H](O)[C@H]1OC(=O)C(OCC(O)CO)=C1O
InChIInChI=1S/C11H16O9/c1-4(13)6(15)7(16)9-8(17)10(11(18)20-9)19-3-5(14)2-12/h5-7,9,12,14-17H,2-3H2,1H3/t5?,6?,7-,9+/m0/s1
InChIKeySDZIYFBVWBLYJY-XDBMUJACSA-N
MW292.24 g/mol
LogP-2.64
Rot. Bonds7

About (2R)-2-[(1S)-1,2-dihydroxy-3-oxobutyl]-4-(2,3-dihydroxypropoxy)-3-hydroxy-2H-furan-5-one

(2R)-2-[(1S)-1,2-dihydroxy-3-oxobutyl]-4-(2,3-dihydroxypropoxy)-3-hydroxy-2H-furan-5-one (PubChem CID 169209828) has the molecular formula C11H16O9 and a molecular weight of 292.24 g/mol. Its IUPAC name is (2R)-2-[(1S)-1,2-dihydroxy-3-oxobutyl]-4-(2,3-dihydroxypropoxy)-3-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1S)-1,2-dihydroxy-3-oxobutyl]-4-(2,3-dihydroxypropoxy)-3-hydroxy-2H-furan-5-one
PubChem CID169209828
Molecular FormulaC11H16O9
Molecular Weight292.24 g/mol
Exact Mass292.08
IUPAC Name(2R)-2-[(1S)-1,2-dihydroxy-3-oxobutyl]-4-(2,3-dihydroxypropoxy)-3-hydroxy-2H-furan-5-one
SMILESCC(=O)C(O)[C@H](O)[C@H]1OC(=O)C(OCC(O)CO)=C1O
InChIInChI=1S/C11H16O9/c1-4(13)6(15)7(16)9-8(17)10(11(18)20-9)19-3-5(14)2-12/h5-7,9,12,14-17H,2-3H2,1H3/t5?,6?,7-,9+/m0/s1
InChIKeySDZIYFBVWBLYJY-XDBMUJACSA-N
XLogP-2.64
TPSA153.75 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 5-2.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1,2-dihydroxy-3-oxobutyl]-4-(2,3-dihydroxypropoxy)-3-hydroxy-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1S)-1,2-dihydroxy-3-oxobutyl]-4-(2,3-dihydroxypropoxy)-3-hydroxy-2H-furan-5-one (CID 169209828) is (2R)-2-[(1S)-1,2-dihydroxy-3-oxobutyl]-4-(2,3-dihydroxypropoxy)-3-hydroxy-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1S)-1,2-dihydroxy-3-oxobutyl]-4-(2,3-dihydroxypropoxy)-3-hydroxy-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1S)-1,2-dihydroxy-3-oxobutyl]-4-(2,3-dihydroxypropoxy)-3-hydroxy-2H-furan-5-one is CC(=O)C(O)[C@H](O)[C@H]1OC(=O)C(OCC(O)CO)=C1O.
What is the InChIKey of (2R)-2-[(1S)-1,2-dihydroxy-3-oxobutyl]-4-(2,3-dihydroxypropoxy)-3-hydroxy-2H-furan-5-one?
The InChIKey is SDZIYFBVWBLYJY-XDBMUJACSA-N. The full InChI is InChI=1S/C11H16O9/c1-4(13)6(15)7(16)9-8(17)10(11(18)20-9)19-3-5(14)2-12/h5-7,9,12,14-17H,2-3H2,1H3/t5?,6?,7-,9+/m0/s1.
What are the key properties of (2R)-2-[(1S)-1,2-dihydroxy-3-oxobutyl]-4-(2,3-dihydroxypropoxy)-3-hydroxy-2H-furan-5-one?
(2R)-2-[(1S)-1,2-dihydroxy-3-oxobutyl]-4-(2,3-dihydroxypropoxy)-3-hydroxy-2H-furan-5-one has a molecular weight of 292.24 g/mol, XLogP of -2.64, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1,2-dihydroxy-3-oxobutyl]-4-(2,3-dihydroxypropoxy)-3-hydroxy-2H-furan-5-one is sourced from PubChem (CID 169209828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).