[(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] acetate

C7H12O5 — CID 21336534

IUPAC[(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] acetate
SMILESCC(=O)O[C@@H]1[C@H](O)CO[C@@H]1CO
InChIInChI=1S/C7H12O5/c1-4(9)12-7-5(10)3-11-6(7)2-8/h5-8,10H,2-3H2,1H3/t5-,6-,7-/m1/s1
InChIKeyXHVRDZZIKTWCJP-FSDSQADBSA-N
MW176.17 g/mol
LogP-1.33
Rot. Bonds2

About [(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] acetate

[(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] acetate (PubChem CID 21336534) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is [(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] acetate
PubChem CID21336534
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Name[(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] acetate
SMILESCC(=O)O[C@@H]1[C@H](O)CO[C@@H]1CO
InChIInChI=1S/C7H12O5/c1-4(9)12-7-5(10)3-11-6(7)2-8/h5-8,10H,2-3H2,1H3/t5-,6-,7-/m1/s1
InChIKeyXHVRDZZIKTWCJP-FSDSQADBSA-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

[2-(hydroxymethyl)-4-methyloxolan-3-yl] acetate
CID 23562413
[(3S,4S,5S,6S)-4,5-diacetyloxy-6-(hydroxymethyl)oxan-3-yl] acetate
CID 153365112
[(3S,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
CID 175284173
[(2R,3S,4R)-4-hydroxy-2-methyloxolan-3-yl] acetate
CID 56963742
(3R,4R,5S,6S)-6-(hydroxymethyl)-4,5-dimethoxyoxan-3-ol
CID 100993548
[5-(hydroxymethyl)-4-methyloxolan-3-yl] acetate
CID 23562379
(3S,4S,5R)-5-(hydroxymethyl)-4-propoxyoxolan-3-ol
CID 135036867
[(3R,4S,5S)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxyoxan-3-yl] acetate
CID 91845298
[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] acetate
CID 90165528
[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
CID 56621960
2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 19699733
(2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 18645218

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] acetate?
The IUPAC name of [(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] acetate (CID 21336534) is [(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] acetate.
What is the SMILES notation for [(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] acetate?
The canonical SMILES for [(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] acetate is CC(=O)O[C@@H]1[C@H](O)CO[C@@H]1CO.
What is the InChIKey of [(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] acetate?
The InChIKey is XHVRDZZIKTWCJP-FSDSQADBSA-N. The full InChI is InChI=1S/C7H12O5/c1-4(9)12-7-5(10)3-11-6(7)2-8/h5-8,10H,2-3H2,1H3/t5-,6-,7-/m1/s1.
What are the key properties of [(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] acetate?
[(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 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,4R)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] acetate is sourced from PubChem (CID 21336534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).