[(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-methoxyethoxy)-5-methyloxan-3-yl] acetate

C15H26O7 — CID 58062028

IUPAC[(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-methoxyethoxy)-5-methyloxan-3-yl] acetate
SMILESCC[C@H]1OC(OC(C)=O)[C@H](OC(C)=O)[C@H](OCCOC)[C@@H]1C
InChIInChI=1S/C15H26O7/c1-6-12-9(2)13(19-8-7-18-5)14(20-10(3)16)15(22-12)21-11(4)17/h9,12-15H,6-8H2,1-5H3/t9-,12-,13-,14-,15?/m1/s1
InChIKeyKAYBZELTNZWCFP-GLIQJBRLSA-N
MW318.37 g/mol
LogP1.28
Rot. Bonds7

About [(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-methoxyethoxy)-5-methyloxan-3-yl] acetate

[(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-methoxyethoxy)-5-methyloxan-3-yl] acetate (PubChem CID 58062028) has the molecular formula C15H26O7 and a molecular weight of 318.37 g/mol. Its IUPAC name is [(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-methoxyethoxy)-5-methyloxan-3-yl] acetate.

Molecular Properties

Compound Name[(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-methoxyethoxy)-5-methyloxan-3-yl] acetate
PubChem CID58062028
Molecular FormulaC15H26O7
Molecular Weight318.37 g/mol
Exact Mass318.17
IUPAC Name[(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-methoxyethoxy)-5-methyloxan-3-yl] acetate
SMILESCC[C@H]1OC(OC(C)=O)[C@H](OC(C)=O)[C@H](OCCOC)[C@@H]1C
InChIInChI=1S/C15H26O7/c1-6-12-9(2)13(19-8-7-18-5)14(20-10(3)16)15(22-12)21-11(4)17/h9,12-15H,6-8H2,1-5H3/t9-,12-,13-,14-,15?/m1/s1
InChIKeyKAYBZELTNZWCFP-GLIQJBRLSA-N
XLogP1.28
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-methoxyethoxy)-5-methyloxan-3-yl] acetate?
The IUPAC name of [(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-methoxyethoxy)-5-methyloxan-3-yl] acetate (CID 58062028) is [(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-methoxyethoxy)-5-methyloxan-3-yl] acetate.
What is the SMILES notation for [(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-methoxyethoxy)-5-methyloxan-3-yl] acetate?
The canonical SMILES for [(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-methoxyethoxy)-5-methyloxan-3-yl] acetate is CC[C@H]1OC(OC(C)=O)[C@H](OC(C)=O)[C@H](OCCOC)[C@@H]1C.
What is the InChIKey of [(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-methoxyethoxy)-5-methyloxan-3-yl] acetate?
The InChIKey is KAYBZELTNZWCFP-GLIQJBRLSA-N. The full InChI is InChI=1S/C15H26O7/c1-6-12-9(2)13(19-8-7-18-5)14(20-10(3)16)15(22-12)21-11(4)17/h9,12-15H,6-8H2,1-5H3/t9-,12-,13-,14-,15?/m1/s1.
What are the key properties of [(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-methoxyethoxy)-5-methyloxan-3-yl] acetate?
[(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-methoxyethoxy)-5-methyloxan-3-yl] acetate has a molecular weight of 318.37 g/mol, XLogP of 1.28, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R,5R,6R)-2-acetyloxy-6-ethyl-4-(2-methoxyethoxy)-5-methyloxan-3-yl] acetate is sourced from PubChem (CID 58062028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).