[(3R,4S,5R,6S)-5-acetyloxy-4,6-dimethoxyoxan-3-yl] acetate

C11H18O7 — CID 22212825

IUPAC[(3R,4S,5R,6S)-5-acetyloxy-4,6-dimethoxyoxan-3-yl] acetate
SMILESCO[C@H]1OC[C@@H](OC(C)=O)[C@H](OC)[C@H]1OC(C)=O
InChIInChI=1S/C11H18O7/c1-6(12)17-8-5-16-11(15-4)10(9(8)14-3)18-7(2)13/h8-11H,5H2,1-4H3/t8-,9+,10-,11+/m1/s1
InChIKeyFPNICPYQAWTZRW-YTWAJWBKSA-N
MW262.26 g/mol
LogP-0.13
Rot. Bonds4

About [(3R,4S,5R,6S)-5-acetyloxy-4,6-dimethoxyoxan-3-yl] acetate

[(3R,4S,5R,6S)-5-acetyloxy-4,6-dimethoxyoxan-3-yl] acetate (PubChem CID 22212825) has the molecular formula C11H18O7 and a molecular weight of 262.26 g/mol. Its IUPAC name is [(3R,4S,5R,6S)-5-acetyloxy-4,6-dimethoxyoxan-3-yl] acetate.

Molecular Properties

Compound Name[(3R,4S,5R,6S)-5-acetyloxy-4,6-dimethoxyoxan-3-yl] acetate
PubChem CID22212825
Molecular FormulaC11H18O7
Molecular Weight262.26 g/mol
Exact Mass262.11
IUPAC Name[(3R,4S,5R,6S)-5-acetyloxy-4,6-dimethoxyoxan-3-yl] acetate
SMILESCO[C@H]1OC[C@@H](OC(C)=O)[C@H](OC)[C@H]1OC(C)=O
InChIInChI=1S/C11H18O7/c1-6(12)17-8-5-16-11(15-4)10(9(8)14-3)18-7(2)13/h8-11H,5H2,1-4H3/t8-,9+,10-,11+/m1/s1
InChIKeyFPNICPYQAWTZRW-YTWAJWBKSA-N
XLogP-0.13
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R,3R,4S,5R)-2-acetyloxy-4,5-dimethoxyoxan-3-yl] acetate
CID 139499665
[4-acetyloxy-6-(4,5-diacetyloxy-6-methoxyoxan-3-yl)oxy-5-(3,4,5-triacetyloxyoxan-2-yl)oxyoxan-3-yl] acetate
CID 162939264
[(3R,4S,5R,6R)-4,5,6-triacetyloxyoxan-3-yl] acetate
CID 12907258
[(3R,4S,5R)-4,5-diacetyloxy-6-bromooxyoxan-3-yl] acetate
CID 139488832
[(3R,4S,5R,6S)-4,5-diacetyloxy-6-[(3R,4S,5R,6S)-4,5,6-triacetyloxyoxan-3-yl]oxyoxan-3-yl] acetate
CID 10951584
[(3S,4S,5R,6S)-4,6-diacetyloxy-5-hydroxyoxan-3-yl] acetate
CID 11903840
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(2R,3R,4S,5R)-4,5-diacetyloxy-2-methoxyoxan-3-yl]oxyoxan-2-yl]methyl acetate
CID 10962895
dimethyl 2-[(2R,3S,4S,5R)-4,5-diacetyloxy-2-methoxyoxan-3-yl]propanedioate
CID 102331148
[(2R,3R,4S,5S)-4,5-dihydroxy-2-methoxyoxan-3-yl] acetate
CID 14412088
[(2S,3S,4S,5S)-4,5-dimethoxy-2-methyloxan-3-yl] acetate
CID 101103796
[(3S,5S)-5-acetyloxy-4-methoxyoxan-3-yl] acetate
CID 100966636
[(2S,3R,4R,5R)-5-acetyloxy-3,4-dimethoxyoxan-2-yl]methyl acetate
CID 91747030

Frequently Asked Questions

What is the IUPAC name of [(3R,4S,5R,6S)-5-acetyloxy-4,6-dimethoxyoxan-3-yl] acetate?
The IUPAC name of [(3R,4S,5R,6S)-5-acetyloxy-4,6-dimethoxyoxan-3-yl] acetate (CID 22212825) is [(3R,4S,5R,6S)-5-acetyloxy-4,6-dimethoxyoxan-3-yl] acetate.
What is the SMILES notation for [(3R,4S,5R,6S)-5-acetyloxy-4,6-dimethoxyoxan-3-yl] acetate?
The canonical SMILES for [(3R,4S,5R,6S)-5-acetyloxy-4,6-dimethoxyoxan-3-yl] acetate is CO[C@H]1OC[C@@H](OC(C)=O)[C@H](OC)[C@H]1OC(C)=O.
What is the InChIKey of [(3R,4S,5R,6S)-5-acetyloxy-4,6-dimethoxyoxan-3-yl] acetate?
The InChIKey is FPNICPYQAWTZRW-YTWAJWBKSA-N. The full InChI is InChI=1S/C11H18O7/c1-6(12)17-8-5-16-11(15-4)10(9(8)14-3)18-7(2)13/h8-11H,5H2,1-4H3/t8-,9+,10-,11+/m1/s1.
What are the key properties of [(3R,4S,5R,6S)-5-acetyloxy-4,6-dimethoxyoxan-3-yl] acetate?
[(3R,4S,5R,6S)-5-acetyloxy-4,6-dimethoxyoxan-3-yl] acetate has a molecular weight of 262.26 g/mol, XLogP of -0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S,5R,6S)-5-acetyloxy-4,6-dimethoxyoxan-3-yl] acetate is sourced from PubChem (CID 22212825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).