(2R)-2-[(1R)-1-hydroxyethyl]-4-[(2R)-2-hydroxypropyl]-2H-furan-5-one

C9H14O4 — CID 38351285

IUPAC(2R)-2-[(1R)-1-hydroxyethyl]-4-[(2R)-2-hydroxypropyl]-2H-furan-5-one
SMILESC[C@@H](O)CC1=C[C@H]([C@@H](C)O)OC1=O
InChIInChI=1S/C9H14O4/c1-5(10)3-7-4-8(6(2)11)13-9(7)12/h4-6,8,10-11H,3H2,1-2H3/t5-,6-,8-/m1/s1
InChIKeyJAAFNWYGLROOGI-ATRFCDNQSA-N
MW186.21 g/mol
LogP-0.01
Rot. Bonds3

About (2R)-2-[(1R)-1-hydroxyethyl]-4-[(2R)-2-hydroxypropyl]-2H-furan-5-one

(2R)-2-[(1R)-1-hydroxyethyl]-4-[(2R)-2-hydroxypropyl]-2H-furan-5-one (PubChem CID 38351285) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is (2R)-2-[(1R)-1-hydroxyethyl]-4-[(2R)-2-hydroxypropyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1R)-1-hydroxyethyl]-4-[(2R)-2-hydroxypropyl]-2H-furan-5-one
PubChem CID38351285
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name(2R)-2-[(1R)-1-hydroxyethyl]-4-[(2R)-2-hydroxypropyl]-2H-furan-5-one
SMILESC[C@@H](O)CC1=C[C@H]([C@@H](C)O)OC1=O
InChIInChI=1S/C9H14O4/c1-5(10)3-7-4-8(6(2)11)13-9(7)12/h4-6,8,10-11H,3H2,1-2H3/t5-,6-,8-/m1/s1
InChIKeyJAAFNWYGLROOGI-ATRFCDNQSA-N
XLogP-0.01
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-1-hydroxyethyl]-4-[(2R)-2-hydroxypropyl]-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1R)-1-hydroxyethyl]-4-[(2R)-2-hydroxypropyl]-2H-furan-5-one (CID 38351285) is (2R)-2-[(1R)-1-hydroxyethyl]-4-[(2R)-2-hydroxypropyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1R)-1-hydroxyethyl]-4-[(2R)-2-hydroxypropyl]-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1R)-1-hydroxyethyl]-4-[(2R)-2-hydroxypropyl]-2H-furan-5-one is C[C@@H](O)CC1=C[C@H]([C@@H](C)O)OC1=O.
What is the InChIKey of (2R)-2-[(1R)-1-hydroxyethyl]-4-[(2R)-2-hydroxypropyl]-2H-furan-5-one?
The InChIKey is JAAFNWYGLROOGI-ATRFCDNQSA-N. The full InChI is InChI=1S/C9H14O4/c1-5(10)3-7-4-8(6(2)11)13-9(7)12/h4-6,8,10-11H,3H2,1-2H3/t5-,6-,8-/m1/s1.
What are the key properties of (2R)-2-[(1R)-1-hydroxyethyl]-4-[(2R)-2-hydroxypropyl]-2H-furan-5-one?
(2R)-2-[(1R)-1-hydroxyethyl]-4-[(2R)-2-hydroxypropyl]-2H-furan-5-one has a molecular weight of 186.21 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-1-hydroxyethyl]-4-[(2R)-2-hydroxypropyl]-2H-furan-5-one is sourced from PubChem (CID 38351285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).