(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(3-ethenoxy-2-hydroxypropoxy)oxolane-2,3-dione

C11H16O8 — CID 91387421

IUPAC(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(3-ethenoxy-2-hydroxypropoxy)oxolane-2,3-dione
SMILESC=COCC(O)COC1C(=O)C(=O)O[C@@H]1[C@@H](O)CO
InChIInChI=1S/C11H16O8/c1-2-17-4-6(13)5-18-10-8(15)11(16)19-9(10)7(14)3-12/h2,6-7,9-10,12-14H,1,3-5H2/t6?,7-,9+,10?/m0/s1
InChIKeyVBTGMCDXXGGDLA-MYCKPSMGSA-N
MW276.24 g/mol
LogP-2.26
Rot. Bonds8

About (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(3-ethenoxy-2-hydroxypropoxy)oxolane-2,3-dione

(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(3-ethenoxy-2-hydroxypropoxy)oxolane-2,3-dione (PubChem CID 91387421) has the molecular formula C11H16O8 and a molecular weight of 276.24 g/mol. Its IUPAC name is (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(3-ethenoxy-2-hydroxypropoxy)oxolane-2,3-dione.

Molecular Properties

Compound Name(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(3-ethenoxy-2-hydroxypropoxy)oxolane-2,3-dione
PubChem CID91387421
Molecular FormulaC11H16O8
Molecular Weight276.24 g/mol
Exact Mass276.08
IUPAC Name(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(3-ethenoxy-2-hydroxypropoxy)oxolane-2,3-dione
SMILESC=COCC(O)COC1C(=O)C(=O)O[C@@H]1[C@@H](O)CO
InChIInChI=1S/C11H16O8/c1-2-17-4-6(13)5-18-10-8(15)11(16)19-9(10)7(14)3-12/h2,6-7,9-10,12-14H,1,3-5H2/t6?,7-,9+,10?/m0/s1
InChIKeyVBTGMCDXXGGDLA-MYCKPSMGSA-N
XLogP-2.26
TPSA122.52 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 5-2.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(2-hydroxy-3-prop-2-enoxypropoxy)oxolane-2,3-dione
CID 91363603
5-(1,2-dihydroxyethyl)-4-(3-ethoxy-2-hydroxypropoxy)oxolane-2,3-dione
CID 123865037
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(3-dodecoxy-2-hydroxypropoxy)oxolane-2,3-dione
CID 91383268
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-silyloxyoxolane-2,3-dione
CID 123360045
bis[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] hydrogen phosphate
CID 54319109
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] 2,3-dihydroxypropyl hydrogen phosphate
CID 90972691
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] propanoate
CID 54208151
[(2R)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] (2R,3R)-2,3,4-trihydroxybutanoate
CID 54419445
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(1,3-dihydroxy-3-methylpentoxy)oxolane-2,3-dione
CID 90799333
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-[3-hydroxy-1-(2-hydroxypropoxy)-2-octoxypropoxy]oxolane-2,3-dione
CID 90792660
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] 6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxylate
CID 90720159
(4S,5R)-5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-one
CID 24802183

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(3-ethenoxy-2-hydroxypropoxy)oxolane-2,3-dione?
The IUPAC name of (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(3-ethenoxy-2-hydroxypropoxy)oxolane-2,3-dione (CID 91387421) is (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(3-ethenoxy-2-hydroxypropoxy)oxolane-2,3-dione.
What is the SMILES notation for (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(3-ethenoxy-2-hydroxypropoxy)oxolane-2,3-dione?
The canonical SMILES for (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(3-ethenoxy-2-hydroxypropoxy)oxolane-2,3-dione is C=COCC(O)COC1C(=O)C(=O)O[C@@H]1[C@@H](O)CO.
What is the InChIKey of (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(3-ethenoxy-2-hydroxypropoxy)oxolane-2,3-dione?
The InChIKey is VBTGMCDXXGGDLA-MYCKPSMGSA-N. The full InChI is InChI=1S/C11H16O8/c1-2-17-4-6(13)5-18-10-8(15)11(16)19-9(10)7(14)3-12/h2,6-7,9-10,12-14H,1,3-5H2/t6?,7-,9+,10?/m0/s1.
What are the key properties of (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(3-ethenoxy-2-hydroxypropoxy)oxolane-2,3-dione?
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(3-ethenoxy-2-hydroxypropoxy)oxolane-2,3-dione has a molecular weight of 276.24 g/mol, XLogP of -2.26, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(3-ethenoxy-2-hydroxypropoxy)oxolane-2,3-dione is sourced from PubChem (CID 91387421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).