[(2R)-2-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1-hydroxy-3-oxobutan-2-yl] acetate

C10H16O7 — CID 54507087

IUPAC[(2R)-2-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1-hydroxy-3-oxobutan-2-yl] acetate
SMILESCC(=O)O[C@@](CO)(C(C)=O)[C@H]1OC[C@H](O)[C@H]1O
InChIInChI=1S/C10H16O7/c1-5(12)10(4-11,17-6(2)13)9-8(15)7(14)3-16-9/h7-9,11,14-15H,3-4H2,1-2H3/t7-,8+,9-,10-/m0/s1
InChIKeyYGMGEYZECJQKGU-JXUBOQSCSA-N
MW248.23 g/mol
LogP-2.01
Rot. Bonds4

About [(2R)-2-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1-hydroxy-3-oxobutan-2-yl] acetate

[(2R)-2-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1-hydroxy-3-oxobutan-2-yl] acetate (PubChem CID 54507087) has the molecular formula C10H16O7 and a molecular weight of 248.23 g/mol. Its IUPAC name is [(2R)-2-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1-hydroxy-3-oxobutan-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-2-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1-hydroxy-3-oxobutan-2-yl] acetate
PubChem CID54507087
Molecular FormulaC10H16O7
Molecular Weight248.23 g/mol
Exact Mass248.09
IUPAC Name[(2R)-2-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1-hydroxy-3-oxobutan-2-yl] acetate
SMILESCC(=O)O[C@@](CO)(C(C)=O)[C@H]1OC[C@H](O)[C@H]1O
InChIInChI=1S/C10H16O7/c1-5(12)10(4-11,17-6(2)13)9-8(15)7(14)3-16-9/h7-9,11,14-15H,3-4H2,1-2H3/t7-,8+,9-,10-/m0/s1
InChIKeyYGMGEYZECJQKGU-JXUBOQSCSA-N
XLogP-2.01
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-2.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [(2R)-2-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1-hydroxy-3-oxobutan-2-yl] acetate with MolForge

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Related Compounds

[(3R,4S,5R)-3-hydroxy-8-oxo-1,7-dioxaspiro[4.4]nonan-4-yl] octanoate
CID 10017667
Secosyrin 1
CID 11184852
3-Pentanone, 1-hydroxy-4,4-dimethoxy-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)-, (R*,S*)-
CID 17844179
2-(3,4-Dihydroxy-5-oxo-2,5-dihydrofuran-2-yl)-2-hydroxyethyl 5-cyclohexylpentanoate
CID 91895601
Xylariolide B
CID 46832766
Xylariolide C
CID 46832767
Oxiranecarboxylic acid, 3-(2-hydroxy-2-methylpropyl)-3-methyl-, ethyl ester
CID 5744223
2-(Oxolan-2-yl)oxolane-2-carboxylic acid
CID 132398826
[(2S)-2-hydroxy-2-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]ethyl] acetate
CID 53703167
(5R)-5-[(1S)-1,2-dihydroxyethyl]-4-ethoxyoxolane-2,3-dione
CID 53792104
[(2S)-2-hydroxy-2-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]ethyl] octanoate
CID 53820915
[(2S)-2-hydroxy-2-[(2R)-4-hydroxy-3,5-dioxooxolan-2-yl]ethyl] dodecanoate
CID 53940018

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1-hydroxy-3-oxobutan-2-yl] acetate?
The IUPAC name of [(2R)-2-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1-hydroxy-3-oxobutan-2-yl] acetate (CID 54507087) is [(2R)-2-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1-hydroxy-3-oxobutan-2-yl] acetate.
What is the SMILES notation for [(2R)-2-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1-hydroxy-3-oxobutan-2-yl] acetate?
The canonical SMILES for [(2R)-2-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1-hydroxy-3-oxobutan-2-yl] acetate is CC(=O)O[C@@](CO)(C(C)=O)[C@H]1OC[C@H](O)[C@H]1O.
What is the InChIKey of [(2R)-2-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1-hydroxy-3-oxobutan-2-yl] acetate?
The InChIKey is YGMGEYZECJQKGU-JXUBOQSCSA-N. The full InChI is InChI=1S/C10H16O7/c1-5(12)10(4-11,17-6(2)13)9-8(15)7(14)3-16-9/h7-9,11,14-15H,3-4H2,1-2H3/t7-,8+,9-,10-/m0/s1.
What are the key properties of [(2R)-2-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1-hydroxy-3-oxobutan-2-yl] acetate?
[(2R)-2-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1-hydroxy-3-oxobutan-2-yl] acetate has a molecular weight of 248.23 g/mol, XLogP of -2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]-1-hydroxy-3-oxobutan-2-yl] acetate is sourced from PubChem (CID 54507087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).