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

C10H16O6 — CID 14214681

IUPAC[(2R,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]methyl acetate
SMILESCO[C@H]1C[C@@H](OC(C)=O)[C@@H](COC(C)=O)O1
InChIInChI=1S/C10H16O6/c1-6(11)14-5-9-8(15-7(2)12)4-10(13-3)16-9/h8-10H,4-5H2,1-3H3/t8-,9-,10-/m1/s1
InChIKeyMBNZXGFEXJLTGC-OPRDCNLKSA-N
MW232.23 g/mol
LogP0.24
Rot. Bonds4

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

[(2R,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]methyl acetate (PubChem CID 14214681) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is [(2R,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]methyl acetate
PubChem CID14214681
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name[(2R,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]methyl acetate
SMILESCO[C@H]1C[C@@H](OC(C)=O)[C@@H](COC(C)=O)O1
InChIInChI=1S/C10H16O6/c1-6(11)14-5-9-8(15-7(2)12)4-10(13-3)16-9/h8-10H,4-5H2,1-3H3/t8-,9-,10-/m1/s1
InChIKeyMBNZXGFEXJLTGC-OPRDCNLKSA-N
XLogP0.24
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,3S,4R,6S)-3,4-diacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 11012146
[(2R)-3,5-diacetyloxyoxolan-2-yl]methyl acetate
CID 121297431
[(2S,3S,4R,6S)-4-acetyloxy-3-ethenyl-6-methoxyoxan-2-yl]methyl acetate
CID 146660242
[(3S,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 71090759
[(2R,3R,4R,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 14078932
(4,6-diacetyloxy-3-methyloxan-2-yl)methyl acetate
CID 58326005
[(2R,3R,4R,5R,6S)-3,4-diacetyloxy-5-deuterio-6-methoxyoxan-2-yl]methyl acetate
CID 25240654
[(2R,3R,4S,6S)-3-acetyloxy-6-methoxy-4-phenylmethoxyoxan-2-yl]methyl acetate
CID 70364158
[4-acetyloxy-6-[(Z)-4-hydroxybut-2-enoxy]-3-methoxyoxan-2-yl]methyl acetate
CID 142000697
[(2R,3R,5S)-3-acetyloxy-5-prop-2-enyloxolan-2-yl]methyl acetate
CID 134830825
[(2S,3R,4R,5R)-5-acetyloxy-3,4-dimethoxyoxan-2-yl]methyl acetate
CID 91747030
[(3S,4S,6S)-5-acetyloxy-3,4-dimethoxy-6-methyloxan-2-yl]methyl acetate
CID 58919166

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]methyl acetate (CID 14214681) is [(2R,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]methyl acetate is CO[C@H]1C[C@@H](OC(C)=O)[C@@H](COC(C)=O)O1.
What is the InChIKey of [(2R,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]methyl acetate?
The InChIKey is MBNZXGFEXJLTGC-OPRDCNLKSA-N. The full InChI is InChI=1S/C10H16O6/c1-6(11)14-5-9-8(15-7(2)12)4-10(13-3)16-9/h8-10H,4-5H2,1-3H3/t8-,9-,10-/m1/s1.
What are the key properties of [(2R,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]methyl acetate?
[(2R,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]methyl acetate has a molecular weight of 232.23 g/mol, XLogP of 0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]methyl acetate is sourced from PubChem (CID 14214681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).