[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] acetate

C7H12O5 — CID 90165528

IUPAC[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] acetate
SMILESCC(=O)OC1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C7H12O5/c1-4(9)11-7-2-5(10)6(3-8)12-7/h5-8,10H,2-3H2,1H3/t5-,6+,7?/m0/s1
InChIKeyZCZKWLPWAPXYDS-GFCOJPQKSA-N
MW176.17 g/mol
LogP-0.98
Rot. Bonds2

About [(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] acetate

[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] acetate (PubChem CID 90165528) has the molecular formula C7H12O5 and a molecular weight of 176.17 g/mol. Its IUPAC name is [(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] acetate.

Molecular Properties

Compound Name[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] acetate
PubChem CID90165528
Molecular FormulaC7H12O5
Molecular Weight176.17 g/mol
Exact Mass176.07
IUPAC Name[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] acetate
SMILESCC(=O)OC1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C7H12O5/c1-4(9)11-7-2-5(10)6(3-8)12-7/h5-8,10H,2-3H2,1H3/t5-,6+,7?/m0/s1
InChIKeyZCZKWLPWAPXYDS-GFCOJPQKSA-N
XLogP-0.98
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 ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate
CID 44608559
[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] 5-methylpyridine-3-carboxylate
CID 174631131
[(4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] hypochlorite
CID 69004119
[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
CID 56621960
[(2R,3R,4R)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 21336534
[(2R)-3,5-diacetyloxyoxolan-2-yl]methyl acetate
CID 121297431
[(2S,3R,4S,6R)-3,6-diacetyloxy-2-(chloromethyl)oxan-4-yl] acetate
CID 118225451
[(2R,3R,4S,5S,6R)-3-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] acetate
CID 56627042
[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate
CID 135041657
[(3S,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 71090759
[(2R,3R,4R,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 14078932
diazanium;[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] phosphate
CID 11543311

Frequently Asked Questions

What is the IUPAC name of [(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] acetate?
The IUPAC name of [(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] acetate (CID 90165528) is [(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] acetate.
What is the SMILES notation for [(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] acetate?
The canonical SMILES for [(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] acetate is CC(=O)OC1C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of [(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] acetate?
The InChIKey is ZCZKWLPWAPXYDS-GFCOJPQKSA-N. The full InChI is InChI=1S/C7H12O5/c1-4(9)11-7-2-5(10)6(3-8)12-7/h5-8,10H,2-3H2,1H3/t5-,6+,7?/m0/s1.
What are the key properties of [(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] acetate?
[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] acetate has a molecular weight of 176.17 g/mol, XLogP of -0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl] acetate is sourced from PubChem (CID 90165528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).