(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-(2-hydroxybutoxy)-4-(2-hydroxy-2-methylpropoxy)-2H-furan-5-one

C14H24O8 — CID 171636497

IUPAC(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-(2-hydroxybutoxy)-4-(2-hydroxy-2-methylpropoxy)-2H-furan-5-one
SMILESCCC(O)COC1=C(OCC(C)(C)O)C(=O)O[C@@H]1[C@@H](O)CO
InChIInChI=1S/C14H24O8/c1-4-8(16)6-20-11-10(9(17)5-15)22-13(18)12(11)21-7-14(2,3)19/h8-10,15-17,19H,4-7H2,1-3H3/t8?,9-,10+/m0/s1
InChIKeyJSILAYNLALWCAG-CBMCFHRWSA-N
MW320.34 g/mol
LogP-0.95
Rot. Bonds9

About (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-(2-hydroxybutoxy)-4-(2-hydroxy-2-methylpropoxy)-2H-furan-5-one

(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-(2-hydroxybutoxy)-4-(2-hydroxy-2-methylpropoxy)-2H-furan-5-one (PubChem CID 171636497) has the molecular formula C14H24O8 and a molecular weight of 320.34 g/mol. Its IUPAC name is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-(2-hydroxybutoxy)-4-(2-hydroxy-2-methylpropoxy)-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-(2-hydroxybutoxy)-4-(2-hydroxy-2-methylpropoxy)-2H-furan-5-one
PubChem CID171636497
Molecular FormulaC14H24O8
Molecular Weight320.34 g/mol
Exact Mass320.15
IUPAC Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-(2-hydroxybutoxy)-4-(2-hydroxy-2-methylpropoxy)-2H-furan-5-one
SMILESCCC(O)COC1=C(OCC(C)(C)O)C(=O)O[C@@H]1[C@@H](O)CO
InChIInChI=1S/C14H24O8/c1-4-8(16)6-20-11-10(9(17)5-15)22-13(18)12(11)21-7-14(2,3)19/h8-10,15-17,19H,4-7H2,1-3H3/t8?,9-,10+/m0/s1
InChIKeyJSILAYNLALWCAG-CBMCFHRWSA-N
XLogP-0.95
TPSA125.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-(2-hydroxybutoxy)-4-(2-hydroxy-2-methylpropoxy)-2H-furan-5-one with MolForge

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Related Compounds

(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-(2-hydroxy-2-methylpropoxy)-4-prop-2-enoxy-2H-furan-5-one
CID 168860286
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-(2-hydroxy-2-methylpropoxy)-5-oxo-2H-furan-4-yl] 2,3-dihydroxypropanoate
CID 176551611
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-(2,3-dihydroxypropoxy)-4-heptoxy-2H-furan-5-one
CID 140562720
(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-[(2R)-2,3-dihydroxypropoxy]-3-octoxy-2H-furan-5-one
CID 171063088
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-(2-hydroxy-3-octoxypropoxy)-4-octoxy-2H-furan-5-one
CID 67267014
[(2R)-2-[(1S)-2-butoxy-1-hydroxyethyl]-3-(2-hydroxy-2-methylpropoxy)-5-oxo-2H-furan-4-yl] dihydrogen phosphate
CID 178181870
[(2R)-2-[(1S)-2-hexadecoxy-1-hydroxyethyl]-3-(2-hydroxy-2-methylpropoxy)-5-oxo-2H-furan-4-yl] dihydrogen phosphate
CID 178181861
(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-(2-hydroxy-3-tetradecoxypropoxy)-2H-furan-5-one
CID 67267617
[(2R)-3-(2-hydroxy-2-methylpropoxy)-2-[(1S)-1-hydroxy-2-oct-1-enoxyethyl]-5-oxo-2H-furan-4-yl] dihydrogen phosphate
CID 178181872
(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-methoxy-3-prop-2-enoxy-2H-furan-5-one
CID 10585525
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-heptadecoxy-4-hydroxy-2H-furan-5-one
CID 18600174
(2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-3-octadecoxy-2H-furan-5-one
CID 14016241

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-(2-hydroxybutoxy)-4-(2-hydroxy-2-methylpropoxy)-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-(2-hydroxybutoxy)-4-(2-hydroxy-2-methylpropoxy)-2H-furan-5-one (CID 171636497) is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-(2-hydroxybutoxy)-4-(2-hydroxy-2-methylpropoxy)-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-(2-hydroxybutoxy)-4-(2-hydroxy-2-methylpropoxy)-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-(2-hydroxybutoxy)-4-(2-hydroxy-2-methylpropoxy)-2H-furan-5-one is CCC(O)COC1=C(OCC(C)(C)O)C(=O)O[C@@H]1[C@@H](O)CO.
What is the InChIKey of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-(2-hydroxybutoxy)-4-(2-hydroxy-2-methylpropoxy)-2H-furan-5-one?
The InChIKey is JSILAYNLALWCAG-CBMCFHRWSA-N. The full InChI is InChI=1S/C14H24O8/c1-4-8(16)6-20-11-10(9(17)5-15)22-13(18)12(11)21-7-14(2,3)19/h8-10,15-17,19H,4-7H2,1-3H3/t8?,9-,10+/m0/s1.
What are the key properties of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-(2-hydroxybutoxy)-4-(2-hydroxy-2-methylpropoxy)-2H-furan-5-one?
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-(2-hydroxybutoxy)-4-(2-hydroxy-2-methylpropoxy)-2H-furan-5-one has a molecular weight of 320.34 g/mol, XLogP of -0.95, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-(2-hydroxybutoxy)-4-(2-hydroxy-2-methylpropoxy)-2H-furan-5-one is sourced from PubChem (CID 171636497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).