(2R)-3-ethoxy-2-[(1S)-1-[(1S)-1-[(2R)-3-ethoxy-4-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethoxy]-2-hydroxyethyl]-4-hydroxy-2H-furan-5-one

C16H22O11 — CID 66831582

IUPAC(2R)-3-ethoxy-2-[(1S)-1-[(1S)-1-[(2R)-3-ethoxy-4-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethoxy]-2-hydroxyethyl]-4-hydroxy-2H-furan-5-one
SMILESCCOC1=C(O)C(=O)O[C@@H]1[C@H](CO)O[C@@H](CO)[C@H]1OC(=O)C(O)=C1OCC
InChIInChI=1S/C16H22O11/c1-3-23-13-9(19)15(21)26-11(13)7(5-17)25-8(6-18)12-14(24-4-2)10(20)16(22)27-12/h7-8,11-12,17-20H,3-6H2,1-2H3/t7-,8-,11+,12+/m0/s1
InChIKeyRVMSDJXNWFMEKC-LDDIKCJXSA-N
MW390.34 g/mol
LogP-0.81
Rot. Bonds10

About (2R)-3-ethoxy-2-[(1S)-1-[(1S)-1-[(2R)-3-ethoxy-4-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethoxy]-2-hydroxyethyl]-4-hydroxy-2H-furan-5-one

(2R)-3-ethoxy-2-[(1S)-1-[(1S)-1-[(2R)-3-ethoxy-4-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethoxy]-2-hydroxyethyl]-4-hydroxy-2H-furan-5-one (PubChem CID 66831582) has the molecular formula C16H22O11 and a molecular weight of 390.34 g/mol. Its IUPAC name is (2R)-3-ethoxy-2-[(1S)-1-[(1S)-1-[(2R)-3-ethoxy-4-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethoxy]-2-hydroxyethyl]-4-hydroxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-3-ethoxy-2-[(1S)-1-[(1S)-1-[(2R)-3-ethoxy-4-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethoxy]-2-hydroxyethyl]-4-hydroxy-2H-furan-5-one
PubChem CID66831582
Molecular FormulaC16H22O11
Molecular Weight390.34 g/mol
Exact Mass390.12
IUPAC Name(2R)-3-ethoxy-2-[(1S)-1-[(1S)-1-[(2R)-3-ethoxy-4-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethoxy]-2-hydroxyethyl]-4-hydroxy-2H-furan-5-one
SMILESCCOC1=C(O)C(=O)O[C@@H]1[C@H](CO)O[C@@H](CO)[C@H]1OC(=O)C(O)=C1OCC
InChIInChI=1S/C16H22O11/c1-3-23-13-9(19)15(21)26-11(13)7(5-17)25-8(6-18)12-14(24-4-2)10(20)16(22)27-12/h7-8,11-12,17-20H,3-6H2,1-2H3/t7-,8-,11+,12+/m0/s1
InChIKeyRVMSDJXNWFMEKC-LDDIKCJXSA-N
XLogP-0.81
TPSA161.21 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.34
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze (2R)-3-ethoxy-2-[(1S)-1-[(1S)-1-[(2R)-3-ethoxy-4-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethoxy]-2-hydroxyethyl]-4-hydroxy-2H-furan-5-one with MolForge

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Related Compounds

[(1S)-1-[(2R)-3,4-diethoxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] diethyl phosphate
CID 71261972
(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
(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-(3-methylbutoxy)-2H-furan-5-one
CID 69422543
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-[[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2H-furan-3-yl]oxy]-4-hydroxy-2H-furan-5-one
CID 66655329
[(2R)-4-hydroxy-2-[(1S)-2-hydroxy-1-phosphonooxyethyl]-5-oxo-2H-furan-3-yl] hexadecanoate
CID 67505930
4-hydroxy-2-(1-hydroxyethyl)-3-(trimethylsilylmethoxy)-2H-furan-5-one
CID 139947884
(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-(2-hydroxy-3-tetradecoxypropoxy)-2H-furan-5-one
CID 67267617
(5R)-5-[(1S)-2-hydroxy-1-methoxyethyl]oxolane-2,3,4-trione
CID 89347160
3,4-dihydroxy-2-(1-hydroxypropan-2-yl)-2H-furan-5-one
CID 54684743
(2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-3-(7,8,8-trihexyloctadecan-7-yloxy)-2H-furan-5-one
CID 162349765

Frequently Asked Questions

What is the IUPAC name of (2R)-3-ethoxy-2-[(1S)-1-[(1S)-1-[(2R)-3-ethoxy-4-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethoxy]-2-hydroxyethyl]-4-hydroxy-2H-furan-5-one?
The IUPAC name of (2R)-3-ethoxy-2-[(1S)-1-[(1S)-1-[(2R)-3-ethoxy-4-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethoxy]-2-hydroxyethyl]-4-hydroxy-2H-furan-5-one (CID 66831582) is (2R)-3-ethoxy-2-[(1S)-1-[(1S)-1-[(2R)-3-ethoxy-4-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethoxy]-2-hydroxyethyl]-4-hydroxy-2H-furan-5-one.
What is the SMILES notation for (2R)-3-ethoxy-2-[(1S)-1-[(1S)-1-[(2R)-3-ethoxy-4-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethoxy]-2-hydroxyethyl]-4-hydroxy-2H-furan-5-one?
The canonical SMILES for (2R)-3-ethoxy-2-[(1S)-1-[(1S)-1-[(2R)-3-ethoxy-4-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethoxy]-2-hydroxyethyl]-4-hydroxy-2H-furan-5-one is CCOC1=C(O)C(=O)O[C@@H]1[C@H](CO)O[C@@H](CO)[C@H]1OC(=O)C(O)=C1OCC.
What is the InChIKey of (2R)-3-ethoxy-2-[(1S)-1-[(1S)-1-[(2R)-3-ethoxy-4-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethoxy]-2-hydroxyethyl]-4-hydroxy-2H-furan-5-one?
The InChIKey is RVMSDJXNWFMEKC-LDDIKCJXSA-N. The full InChI is InChI=1S/C16H22O11/c1-3-23-13-9(19)15(21)26-11(13)7(5-17)25-8(6-18)12-14(24-4-2)10(20)16(22)27-12/h7-8,11-12,17-20H,3-6H2,1-2H3/t7-,8-,11+,12+/m0/s1.
What are the key properties of (2R)-3-ethoxy-2-[(1S)-1-[(1S)-1-[(2R)-3-ethoxy-4-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethoxy]-2-hydroxyethyl]-4-hydroxy-2H-furan-5-one?
(2R)-3-ethoxy-2-[(1S)-1-[(1S)-1-[(2R)-3-ethoxy-4-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethoxy]-2-hydroxyethyl]-4-hydroxy-2H-furan-5-one has a molecular weight of 390.34 g/mol, XLogP of -0.81, 10 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-ethoxy-2-[(1S)-1-[(1S)-1-[(2R)-3-ethoxy-4-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethoxy]-2-hydroxyethyl]-4-hydroxy-2H-furan-5-one is sourced from PubChem (CID 66831582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).