[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]methyl acetate

C7H12O5 — CID 130353302

IUPAC[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC[C@H](O)[C@H]1O
InChIInChI=1S/C7H12O5/c1-4(8)11-3-6-7(10)5(9)2-12-6/h5-7,9-10H,2-3H2,1H3/t5-,6+,7+/m0/s1
InChIKeyUBRQOZHGEPZAGZ-RRKCRQDMSA-N
MW176.17 g/mol
LogP-1.33
Rot. Bonds2

About [(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]methyl acetate

[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]methyl acetate (PubChem CID 130353302) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is [(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]methyl acetate
PubChem CID130353302
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Name[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1OC[C@H](O)[C@H]1O
InChIInChI=1S/C7H12O5/c1-4(8)11-3-6-7(10)5(9)2-12-6/h5-7,9-10H,2-3H2,1H3/t5-,6+,7+/m0/s1
InChIKeyUBRQOZHGEPZAGZ-RRKCRQDMSA-N
XLogP-1.33
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl acetate
CID 21336535
[(2S,3S,4S)-3,4-dihydroxyoxolan-2-yl]methyl hexanoate
CID 129219609
[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl hexanoate
CID 129219584
[(2R,3R,4R,6R)-3,4,6-trihydroxyoxan-2-yl]methyl acetate
CID 70946424
[5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate
CID 14157591
[(4R,5R)-5-(acetyloxymethyl)-1,3-dioxolan-4-yl]methyl acetate
CID 14157593
[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]methyl 5-fluoropentanoate
CID 129236459
(2R,3S,4R,5R)-2-(methoxymethyl)oxane-3,4,5-triol
CID 54109760
[(2R)-3,4-diacetyloxyoxolan-2-yl]methyl acetate
CID 70902422
(4-acetyloxy-3-hydroxyoxan-2-yl)methyl acetate
CID 78001217
1-[(3R,5R)-3,4,5-trihydroxyoxan-2-yl]propan-2-one
CID 129131488
[(2R,3S,4R,5R,6S)-3-acetyloxy-6-[(2S,3R,4S,5R)-4,5-dihydroxy-2-[(2R,3R,4S,5R)-2,4,5-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-2-yl]methyl acetate
CID 91859620

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]methyl acetate (CID 130353302) is [(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]methyl acetate is CC(=O)OC[C@H]1OC[C@H](O)[C@H]1O.
What is the InChIKey of [(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]methyl acetate?
The InChIKey is UBRQOZHGEPZAGZ-RRKCRQDMSA-N. The full InChI is InChI=1S/C7H12O5/c1-4(8)11-3-6-7(10)5(9)2-12-6/h5-7,9-10H,2-3H2,1H3/t5-,6+,7+/m0/s1.
What are the key properties of [(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]methyl acetate?
[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]methyl acetate has a molecular weight of 176.17 g/mol, XLogP of -1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]methyl acetate is sourced from PubChem (CID 130353302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).