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

C11H18O6 — CID 68591015

IUPAC(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-pentoxy-2H-furan-5-one
SMILESCCCCCOC1=C(O)[C@@H]([C@@H](O)CO)OC1=O
InChIInChI=1S/C11H18O6/c1-2-3-4-5-16-10-8(14)9(7(13)6-12)17-11(10)15/h7,9,12-14H,2-6H2,1H3/t7-,9+/m0/s1
InChIKeyLBKAZLGJUSWNGN-IONNQARKSA-N
MW246.26 g/mol
LogP0.24
Rot. Bonds7

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

(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-pentoxy-2H-furan-5-one (PubChem CID 68591015) has the molecular formula C11H18O6 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-pentoxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-pentoxy-2H-furan-5-one
PubChem CID68591015
Molecular FormulaC11H18O6
Molecular Weight246.26 g/mol
Exact Mass246.11
IUPAC Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-pentoxy-2H-furan-5-one
SMILESCCCCCOC1=C(O)[C@@H]([C@@H](O)CO)OC1=O
InChIInChI=1S/C11H18O6/c1-2-3-4-5-16-10-8(14)9(7(13)6-12)17-11(10)15/h7,9,12-14H,2-6H2,1H3/t7-,9+/m0/s1
InChIKeyLBKAZLGJUSWNGN-IONNQARKSA-N
XLogP0.24
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.24
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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Related Compounds

(2R)-4-decoxy-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2H-furan-5-one
CID 68591726
2-(1,2-dihydroxyethyl)-3-hydroxy-4-undecoxy-2H-furan-5-one
CID 54726558
(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hexoxy-3-hydroxy-2H-furan-5-one
CID 68591424
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-nonadecoxy-2H-furan-5-one
CID 68590112
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-(10-hydroxydecoxy)-2H-furan-5-one
CID 54740315
(2R)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-3-octadecoxy-2H-furan-5-one
CID 14016241
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-heptadecoxy-4-hydroxy-2H-furan-5-one
CID 18600174
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-docosoxy-4-hydroxy-2H-furan-5-one
CID 24953738
potassium (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-octadecoxy-5-oxo-2H-furan-3-olate
CID 140550032
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-(2,3-dihydroxypropoxy)-4-heptoxy-2H-furan-5-one
CID 140562720
(2R)-3-butoxy-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-2H-furan-5-one
CID 18600208
(2R)-2-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4-phenylmethoxy-2H-furan-5-one
CID 70356460

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-pentoxy-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-pentoxy-2H-furan-5-one (CID 68591015) is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-pentoxy-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-pentoxy-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-pentoxy-2H-furan-5-one is CCCCCOC1=C(O)[C@@H]([C@@H](O)CO)OC1=O.
What is the InChIKey of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-pentoxy-2H-furan-5-one?
The InChIKey is LBKAZLGJUSWNGN-IONNQARKSA-N. The full InChI is InChI=1S/C11H18O6/c1-2-3-4-5-16-10-8(14)9(7(13)6-12)17-11(10)15/h7,9,12-14H,2-6H2,1H3/t7-,9+/m0/s1.
What are the key properties of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-pentoxy-2H-furan-5-one?
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-pentoxy-2H-furan-5-one has a molecular weight of 246.26 g/mol, XLogP of 0.24, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-pentoxy-2H-furan-5-one is sourced from PubChem (CID 68591015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).