[(2R,3R,4R,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]methyl acetate

C12H18O8 — CID 14214663

IUPAC[(2R,3R,4R,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]methyl acetate
SMILESCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C12H18O8/c1-6(13)17-5-9-10(18-7(2)14)11(19-8(3)15)12(16-4)20-9/h9-12H,5H2,1-4H3/t9-,10-,11-,12-/m1/s1
InChIKeyRUSRQHXGPHZZNI-DDHJBXDOSA-N
MW290.27 g/mol
LogP-0.22
Rot. Bonds5

About [(2R,3R,4R,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]methyl acetate

[(2R,3R,4R,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]methyl acetate (PubChem CID 14214663) has the molecular formula C12H18O8 and a molecular weight of 290.27 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]methyl acetate
PubChem CID14214663
Molecular FormulaC12H18O8
Molecular Weight290.27 g/mol
Exact Mass290.10
IUPAC Name[(2R,3R,4R,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]methyl acetate
SMILESCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C12H18O8/c1-6(13)17-5-9-10(18-7(2)14)11(19-8(3)15)12(16-4)20-9/h9-12H,5H2,1-4H3/t9-,10-,11-,12-/m1/s1
InChIKeyRUSRQHXGPHZZNI-DDHJBXDOSA-N
XLogP-0.22
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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,3R,4R,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,4R,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]methyl acetate (CID 14214663) is [(2R,3R,4R,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,4R,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,4R,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]methyl acetate is CO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4R,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]methyl acetate?
The InChIKey is RUSRQHXGPHZZNI-DDHJBXDOSA-N. The full InChI is InChI=1S/C12H18O8/c1-6(13)17-5-9-10(18-7(2)14)11(19-8(3)15)12(16-4)20-9/h9-12H,5H2,1-4H3/t9-,10-,11-,12-/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]methyl acetate?
[(2R,3R,4R,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]methyl acetate has a molecular weight of 290.27 g/mol, XLogP of -0.22, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]methyl acetate is sourced from PubChem (CID 14214663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).