[(2R,4S,5S)-5-hydroxy-3-oxo-4-propan-2-yloxyoxolan-2-yl]methyl acetate

C10H16O6 — CID 70890644

IUPAC[(2R,4S,5S)-5-hydroxy-3-oxo-4-propan-2-yloxyoxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@H](O)[C@H](OC(C)C)C1=O
InChIInChI=1S/C10H16O6/c1-5(2)15-9-8(12)7(16-10(9)13)4-14-6(3)11/h5,7,9-10,13H,4H2,1-3H3/t7-,9-,10+/m1/s1
InChIKeyVFOOPNWEDCIJOE-QNSHHTMESA-N
MW232.23 g/mol
LogP-0.37
Rot. Bonds4

About [(2R,4S,5S)-5-hydroxy-3-oxo-4-propan-2-yloxyoxolan-2-yl]methyl acetate

[(2R,4S,5S)-5-hydroxy-3-oxo-4-propan-2-yloxyoxolan-2-yl]methyl acetate (PubChem CID 70890644) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is [(2R,4S,5S)-5-hydroxy-3-oxo-4-propan-2-yloxyoxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,4S,5S)-5-hydroxy-3-oxo-4-propan-2-yloxyoxolan-2-yl]methyl acetate
PubChem CID70890644
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name[(2R,4S,5S)-5-hydroxy-3-oxo-4-propan-2-yloxyoxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@H](O)[C@H](OC(C)C)C1=O
InChIInChI=1S/C10H16O6/c1-5(2)15-9-8(12)7(16-10(9)13)4-14-6(3)11/h5,7,9-10,13H,4H2,1-3H3/t7-,9-,10+/m1/s1
InChIKeyVFOOPNWEDCIJOE-QNSHHTMESA-N
XLogP-0.37
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R,4S,5S)-5-hydroxy-3-oxo-4-propan-2-yloxyoxolan-2-yl]methyl acetate with MolForge

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Launch Full Analysis

Related Compounds

(2,2-dimethyl-6-oxo-3a,6a-dihydrofuro[2,3-d][1,3]dioxol-5-yl)methyl acetate
CID 75148574
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-propan-2-yloxyoxan-2-yl]methyl acetate
CID 15613269
[(3S,6S)-6-[(2R,5S)-6-(acetyloxymethyl)-4,5-dihydroxy-2-propan-2-yloxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
CID 174148563
[(1R,2R,3S,5S,7S,8S)-6-oxo-5-propan-2-yloxy-4-oxatricyclo[6.2.1.02,7]undec-9-en-3-yl]methyl acetate
CID 23249737
[(3R,4S,6R)-3,4,5-triacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 90927785
[(3S,5S,6R)-3,4,5-triacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 118895544
(4-methoxy-6-oxo-3-oxabicyclo[3.1.0]hexan-2-yl)methyl acetate
CID 176987108
[(2R,5R)-3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]methyl acetate
CID 131700350
(4-hydroxyoxetan-2-yl)methyl acetate
CID 67977653
[(2S)-4-hydroxyoxetan-2-yl]methyl acetate
CID 67977655
[(3aS)-6,7-diacetyloxy-1,2-dimethyl-2,3a,5,7a-tetrahydropyrano[3,2-d][1,3]oxazol-5-yl]methyl acetate
CID 130253429
[(2R,3R,6S)-4-[bis(methylsulfanyl)methylidene]-3-ethylsulfanyl-5-oxo-6-propan-2-yloxyoxan-2-yl]methyl acetate
CID 101355202

Frequently Asked Questions

What is the IUPAC name of [(2R,4S,5S)-5-hydroxy-3-oxo-4-propan-2-yloxyoxolan-2-yl]methyl acetate?
The IUPAC name of [(2R,4S,5S)-5-hydroxy-3-oxo-4-propan-2-yloxyoxolan-2-yl]methyl acetate (CID 70890644) is [(2R,4S,5S)-5-hydroxy-3-oxo-4-propan-2-yloxyoxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,4S,5S)-5-hydroxy-3-oxo-4-propan-2-yloxyoxolan-2-yl]methyl acetate?
The canonical SMILES for [(2R,4S,5S)-5-hydroxy-3-oxo-4-propan-2-yloxyoxolan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@H](O)[C@H](OC(C)C)C1=O.
What is the InChIKey of [(2R,4S,5S)-5-hydroxy-3-oxo-4-propan-2-yloxyoxolan-2-yl]methyl acetate?
The InChIKey is VFOOPNWEDCIJOE-QNSHHTMESA-N. The full InChI is InChI=1S/C10H16O6/c1-5(2)15-9-8(12)7(16-10(9)13)4-14-6(3)11/h5,7,9-10,13H,4H2,1-3H3/t7-,9-,10+/m1/s1.
What are the key properties of [(2R,4S,5S)-5-hydroxy-3-oxo-4-propan-2-yloxyoxolan-2-yl]methyl acetate?
[(2R,4S,5S)-5-hydroxy-3-oxo-4-propan-2-yloxyoxolan-2-yl]methyl acetate has a molecular weight of 232.23 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S,5S)-5-hydroxy-3-oxo-4-propan-2-yloxyoxolan-2-yl]methyl acetate is sourced from PubChem (CID 70890644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).