[(2R,4R)-2,3,4,5-tetraacetyloxypentyl] acetate

C15H22O10 — CID 11100532

IUPAC[(2R,4R)-2,3,4,5-tetraacetyloxypentyl] acetate
SMILESCC(=O)OC[C@@H](OC(C)=O)C(OC(C)=O)[C@@H](COC(C)=O)OC(C)=O
InChIInChI=1S/C15H22O10/c1-8(16)21-6-13(23-10(3)18)15(25-12(5)20)14(24-11(4)19)7-22-9(2)17/h13-15H,6-7H2,1-5H3/t13-,14-/m1/s1
InChIKeyNVKPIAUSOPISJK-ZIAGYGMSSA-N
MW362.33 g/mol
LogP-0.09
Rot. Bonds9

About [(2R,4R)-2,3,4,5-tetraacetyloxypentyl] acetate

[(2R,4R)-2,3,4,5-tetraacetyloxypentyl] acetate (PubChem CID 11100532) has the molecular formula C15H22O10 and a molecular weight of 362.33 g/mol. Its IUPAC name is [(2R,4R)-2,3,4,5-tetraacetyloxypentyl] acetate.

Molecular Properties

Compound Name[(2R,4R)-2,3,4,5-tetraacetyloxypentyl] acetate
PubChem CID11100532
Molecular FormulaC15H22O10
Molecular Weight362.33 g/mol
Exact Mass362.12
IUPAC Name[(2R,4R)-2,3,4,5-tetraacetyloxypentyl] acetate
SMILESCC(=O)OC[C@@H](OC(C)=O)C(OC(C)=O)[C@@H](COC(C)=O)OC(C)=O
InChIInChI=1S/C15H22O10/c1-8(16)21-6-13(23-10(3)18)15(25-12(5)20)14(24-11(4)19)7-22-9(2)17/h13-15H,6-7H2,1-5H3/t13-,14-/m1/s1
InChIKeyNVKPIAUSOPISJK-ZIAGYGMSSA-N
XLogP-0.09
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-2,3,4,5-tetraacetyloxypentyl] acetate?
The IUPAC name of [(2R,4R)-2,3,4,5-tetraacetyloxypentyl] acetate (CID 11100532) is [(2R,4R)-2,3,4,5-tetraacetyloxypentyl] acetate.
What is the SMILES notation for [(2R,4R)-2,3,4,5-tetraacetyloxypentyl] acetate?
The canonical SMILES for [(2R,4R)-2,3,4,5-tetraacetyloxypentyl] acetate is CC(=O)OC[C@@H](OC(C)=O)C(OC(C)=O)[C@@H](COC(C)=O)OC(C)=O.
What is the InChIKey of [(2R,4R)-2,3,4,5-tetraacetyloxypentyl] acetate?
The InChIKey is NVKPIAUSOPISJK-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H22O10/c1-8(16)21-6-13(23-10(3)18)15(25-12(5)20)14(24-11(4)19)7-22-9(2)17/h13-15H,6-7H2,1-5H3/t13-,14-/m1/s1.
What are the key properties of [(2R,4R)-2,3,4,5-tetraacetyloxypentyl] acetate?
[(2R,4R)-2,3,4,5-tetraacetyloxypentyl] acetate has a molecular weight of 362.33 g/mol, XLogP of -0.09, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-2,3,4,5-tetraacetyloxypentyl] acetate is sourced from PubChem (CID 11100532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).