[(2R,3R,4R,5R)-3,5,6-triacetyloxy-4-(2-methoxyethoxy)oxan-2-yl]methyl acetate

C17H26O11 — CID 70866143

IUPAC[(2R,3R,4R,5R)-3,5,6-triacetyloxy-4-(2-methoxyethoxy)oxan-2-yl]methyl acetate
SMILESCOCCO[C@@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C17H26O11/c1-9(18)24-8-13-14(25-10(2)19)15(23-7-6-22-5)16(26-11(3)20)17(28-13)27-12(4)21/h13-17H,6-8H2,1-5H3/t13-,14-,15-,16-,17?/m1/s1
InChIKeyONOGOAKMFBPDLF-RZJWPAKQSA-N
MW406.38 g/mol
LogP-0.27
Rot. Bonds9

About [(2R,3R,4R,5R)-3,5,6-triacetyloxy-4-(2-methoxyethoxy)oxan-2-yl]methyl acetate

[(2R,3R,4R,5R)-3,5,6-triacetyloxy-4-(2-methoxyethoxy)oxan-2-yl]methyl acetate (PubChem CID 70866143) has the molecular formula C17H26O11 and a molecular weight of 406.38 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-3,5,6-triacetyloxy-4-(2-methoxyethoxy)oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-3,5,6-triacetyloxy-4-(2-methoxyethoxy)oxan-2-yl]methyl acetate
PubChem CID70866143
Molecular FormulaC17H26O11
Molecular Weight406.38 g/mol
Exact Mass406.15
IUPAC Name[(2R,3R,4R,5R)-3,5,6-triacetyloxy-4-(2-methoxyethoxy)oxan-2-yl]methyl acetate
SMILESCOCCO[C@@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C17H26O11/c1-9(18)24-8-13-14(25-10(2)19)15(23-7-6-22-5)16(26-11(3)20)17(28-13)27-12(4)21/h13-17H,6-8H2,1-5H3/t13-,14-,15-,16-,17?/m1/s1
InChIKeyONOGOAKMFBPDLF-RZJWPAKQSA-N
XLogP-0.27
TPSA132.89 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.38
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-[[(2R,3R,4R,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate
CID 162998935
acetic acid;[(2R,3S,4R)-4,5-diacetyloxy-3-(2-methoxyethylperoxy)oxolan-2-yl]methyl acetate
CID 87093750
[(2S,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]methyl acetate
CID 129207028
[(2R,3R,4S,5S)-4,5,6-triacetyloxy-3-[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
CID 71752394
[(3R,4S)-4,5,6-triacetyloxy-3-[(2S,4S,5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
CID 70959983

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-3,5,6-triacetyloxy-4-(2-methoxyethoxy)oxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,4R,5R)-3,5,6-triacetyloxy-4-(2-methoxyethoxy)oxan-2-yl]methyl acetate (CID 70866143) is [(2R,3R,4R,5R)-3,5,6-triacetyloxy-4-(2-methoxyethoxy)oxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,4R,5R)-3,5,6-triacetyloxy-4-(2-methoxyethoxy)oxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,4R,5R)-3,5,6-triacetyloxy-4-(2-methoxyethoxy)oxan-2-yl]methyl acetate is COCCO[C@@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(OC(C)=O)[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4R,5R)-3,5,6-triacetyloxy-4-(2-methoxyethoxy)oxan-2-yl]methyl acetate?
The InChIKey is ONOGOAKMFBPDLF-RZJWPAKQSA-N. The full InChI is InChI=1S/C17H26O11/c1-9(18)24-8-13-14(25-10(2)19)15(23-7-6-22-5)16(26-11(3)20)17(28-13)27-12(4)21/h13-17H,6-8H2,1-5H3/t13-,14-,15-,16-,17?/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-3,5,6-triacetyloxy-4-(2-methoxyethoxy)oxan-2-yl]methyl acetate?
[(2R,3R,4R,5R)-3,5,6-triacetyloxy-4-(2-methoxyethoxy)oxan-2-yl]methyl acetate has a molecular weight of 406.38 g/mol, XLogP of -0.27, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-3,5,6-triacetyloxy-4-(2-methoxyethoxy)oxan-2-yl]methyl acetate is sourced from PubChem (CID 70866143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).