[(2R)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] (2R,3R)-2,3,4-trihydroxybutanoate

C10H14O10 — CID 54419445

IUPAC[(2R)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] (2R,3R)-2,3,4-trihydroxybutanoate
SMILESO=C1O[C@H]([C@H](O)CO)C(OC(=O)[C@H](O)[C@H](O)CO)C1=O
InChIInChI=1S/C10H14O10/c11-1-3(13)5(15)9(17)20-8-6(16)10(18)19-7(8)4(14)2-12/h3-5,7-8,11-15H,1-2H2/t3-,4-,5-,7-,8?/m1/s1
InChIKeyVZSYKTJLWJCAPT-OMAYUESXSA-N
MW294.21 g/mol
LogP-4.54
Rot. Bonds6

About [(2R)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] (2R,3R)-2,3,4-trihydroxybutanoate

[(2R)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] (2R,3R)-2,3,4-trihydroxybutanoate (PubChem CID 54419445) has the molecular formula C10H14O10 and a molecular weight of 294.21 g/mol. Its IUPAC name is [(2R)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] (2R,3R)-2,3,4-trihydroxybutanoate.

Molecular Properties

Compound Name[(2R)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] (2R,3R)-2,3,4-trihydroxybutanoate
PubChem CID54419445
Molecular FormulaC10H14O10
Molecular Weight294.21 g/mol
Exact Mass294.06
IUPAC Name[(2R)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] (2R,3R)-2,3,4-trihydroxybutanoate
SMILESO=C1O[C@H]([C@H](O)CO)C(OC(=O)[C@H](O)[C@H](O)CO)C1=O
InChIInChI=1S/C10H14O10/c11-1-3(13)5(15)9(17)20-8-6(16)10(18)19-7(8)4(14)2-12/h3-5,7-8,11-15H,1-2H2/t3-,4-,5-,7-,8?/m1/s1
InChIKeyVZSYKTJLWJCAPT-OMAYUESXSA-N
XLogP-4.54
TPSA170.82 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.21
LogP ≤ 5-4.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] propanoate
CID 54208151
(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
[(3R,4S,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-oxooxolan-3-yl] 2,3,4,5,6,7-hexahydroxyheptanoate
CID 90992471
5-(1,2-dihydroxyethyl)-4-(3-ethoxy-2-hydroxypropoxy)oxolane-2,3-dione
CID 123865037
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] 2,3-dihexoxy-2,3-dihexyl-4,5,6,7,8,9,10-heptahydroxydecanoate
CID 91352957
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] 2,3-dihydroxypropyl hydrogen phosphate
CID 90972691
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(3-ethenoxy-2-hydroxypropoxy)oxolane-2,3-dione
CID 91387421
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(2-hydroxy-3-prop-2-enoxypropoxy)oxolane-2,3-dione
CID 91363603
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(1,3-dihydroxy-3-methylpentoxy)oxolane-2,3-dione
CID 90799333
[(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
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-(3-dodecoxy-2-hydroxypropoxy)oxolane-2,3-dione
CID 91383268

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] (2R,3R)-2,3,4-trihydroxybutanoate?
The IUPAC name of [(2R)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] (2R,3R)-2,3,4-trihydroxybutanoate (CID 54419445) is [(2R)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] (2R,3R)-2,3,4-trihydroxybutanoate.
What is the SMILES notation for [(2R)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] (2R,3R)-2,3,4-trihydroxybutanoate?
The canonical SMILES for [(2R)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] (2R,3R)-2,3,4-trihydroxybutanoate is O=C1O[C@H]([C@H](O)CO)C(OC(=O)[C@H](O)[C@H](O)CO)C1=O.
What is the InChIKey of [(2R)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] (2R,3R)-2,3,4-trihydroxybutanoate?
The InChIKey is VZSYKTJLWJCAPT-OMAYUESXSA-N. The full InChI is InChI=1S/C10H14O10/c11-1-3(13)5(15)9(17)20-8-6(16)10(18)19-7(8)4(14)2-12/h3-5,7-8,11-15H,1-2H2/t3-,4-,5-,7-,8?/m1/s1.
What are the key properties of [(2R)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] (2R,3R)-2,3,4-trihydroxybutanoate?
[(2R)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] (2R,3R)-2,3,4-trihydroxybutanoate has a molecular weight of 294.21 g/mol, XLogP of -4.54, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dioxooxolan-3-yl] (2R,3R)-2,3,4-trihydroxybutanoate is sourced from PubChem (CID 54419445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).