[(2R,3S,4R,5S)-3,5-diacetyloxy-4-(2-acetyloxypropan-2-yloxy)oxolan-2-yl]methyl acetate

C16H24O10 — CID 102295880

IUPAC[(2R,3S,4R,5S)-3,5-diacetyloxy-4-(2-acetyloxypropan-2-yloxy)oxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)(C)OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C16H24O10/c1-8(17)21-7-12-13(22-9(2)18)14(15(24-12)23-10(3)19)26-16(5,6)25-11(4)20/h12-15H,7H2,1-6H3/t12-,13+,14-,15-/m1/s1
InChIKeyXNNRLQBZNBEFSZ-LXTVHRRPSA-N
MW376.36 g/mol
LogP0.45
Rot. Bonds7

About [(2R,3S,4R,5S)-3,5-diacetyloxy-4-(2-acetyloxypropan-2-yloxy)oxolan-2-yl]methyl acetate

[(2R,3S,4R,5S)-3,5-diacetyloxy-4-(2-acetyloxypropan-2-yloxy)oxolan-2-yl]methyl acetate (PubChem CID 102295880) has the molecular formula C16H24O10 and a molecular weight of 376.36 g/mol. Its IUPAC name is [(2R,3S,4R,5S)-3,5-diacetyloxy-4-(2-acetyloxypropan-2-yloxy)oxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,4R,5S)-3,5-diacetyloxy-4-(2-acetyloxypropan-2-yloxy)oxolan-2-yl]methyl acetate
PubChem CID102295880
Molecular FormulaC16H24O10
Molecular Weight376.36 g/mol
Exact Mass376.14
IUPAC Name[(2R,3S,4R,5S)-3,5-diacetyloxy-4-(2-acetyloxypropan-2-yloxy)oxolan-2-yl]methyl acetate
SMILESCC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)(C)OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C16H24O10/c1-8(17)21-7-12-13(22-9(2)18)14(15(24-12)23-10(3)19)26-16(5,6)25-11(4)20/h12-15H,7H2,1-6H3/t12-,13+,14-,15-/m1/s1
InChIKeyXNNRLQBZNBEFSZ-LXTVHRRPSA-N
XLogP0.45
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(2R,3R,4R,5S)-3,4,5-triacetyloxy(513C)oxolan-2-yl]methyl acetate
CID 11461323
[(2R,3S,5S)-3,4,5-triacetyloxyoxolan-2-yl]methyl acetate
CID 24802529
[(3R,5R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 66625316
[(3S,4R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 59256922
[(3R,4R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 121321079
[(3S,4S,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 53487899
[(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
CID 2724702
[(2R,3S,4R,5S)-5-acetyloxy-4-(2-acetyloxypropan-2-yloxy)-3-benzoyloxyoxolan-2-yl]methyl benzoate
CID 44603812
[(2R,3S,4S,5S,6S)-3,4,5-triacetyloxy-6-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methyl acetate
CID 7430079
[(3S,5S,6S)-3,4,5-triacetyloxy-6-[(2-methylpropan-2-yl)oxy]oxan-2-yl]methyl acetate
CID 122548443
[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-2-(acetyloxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate
CID 101147891
[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-3-[(2R,3R,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[(2R,3R,4S,5R,6R)-4,5,6-triacetyloxy-2-(acetyloxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl acetate
CID 170902589

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5S)-3,5-diacetyloxy-4-(2-acetyloxypropan-2-yloxy)oxolan-2-yl]methyl acetate?
The IUPAC name of [(2R,3S,4R,5S)-3,5-diacetyloxy-4-(2-acetyloxypropan-2-yloxy)oxolan-2-yl]methyl acetate (CID 102295880) is [(2R,3S,4R,5S)-3,5-diacetyloxy-4-(2-acetyloxypropan-2-yloxy)oxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,4R,5S)-3,5-diacetyloxy-4-(2-acetyloxypropan-2-yloxy)oxolan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,4R,5S)-3,5-diacetyloxy-4-(2-acetyloxypropan-2-yloxy)oxolan-2-yl]methyl acetate is CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](OC(C)(C)OC(C)=O)[C@H]1OC(C)=O.
What is the InChIKey of [(2R,3S,4R,5S)-3,5-diacetyloxy-4-(2-acetyloxypropan-2-yloxy)oxolan-2-yl]methyl acetate?
The InChIKey is XNNRLQBZNBEFSZ-LXTVHRRPSA-N. The full InChI is InChI=1S/C16H24O10/c1-8(17)21-7-12-13(22-9(2)18)14(15(24-12)23-10(3)19)26-16(5,6)25-11(4)20/h12-15H,7H2,1-6H3/t12-,13+,14-,15-/m1/s1.
What are the key properties of [(2R,3S,4R,5S)-3,5-diacetyloxy-4-(2-acetyloxypropan-2-yloxy)oxolan-2-yl]methyl acetate?
[(2R,3S,4R,5S)-3,5-diacetyloxy-4-(2-acetyloxypropan-2-yloxy)oxolan-2-yl]methyl acetate has a molecular weight of 376.36 g/mol, XLogP of 0.45, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5S)-3,5-diacetyloxy-4-(2-acetyloxypropan-2-yloxy)oxolan-2-yl]methyl acetate is sourced from PubChem (CID 102295880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).