[(2R,3R,4S,6R)-3-acetyloxy-6-hydroxy-2-methyloxan-4-yl] acetate

C10H16O6 — CID 156614307

IUPAC[(2R,3R,4S,6R)-3-acetyloxy-6-hydroxy-2-methyloxan-4-yl] acetate
SMILESCC(=O)O[C@H]1[C@@H](OC(C)=O)C[C@H](O)O[C@@H]1C
InChIInChI=1S/C10H16O6/c1-5-10(16-7(3)12)8(15-6(2)11)4-9(13)14-5/h5,8-10,13H,4H2,1-3H3/t5-,8+,9-,10-/m1/s1
InChIKeyAUHYUSJXUNPACJ-KNPZVZKISA-N
MW232.23 g/mol
LogP-0.02
Rot. Bonds2

About [(2R,3R,4S,6R)-3-acetyloxy-6-hydroxy-2-methyloxan-4-yl] acetate

[(2R,3R,4S,6R)-3-acetyloxy-6-hydroxy-2-methyloxan-4-yl] acetate (PubChem CID 156614307) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is [(2R,3R,4S,6R)-3-acetyloxy-6-hydroxy-2-methyloxan-4-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4S,6R)-3-acetyloxy-6-hydroxy-2-methyloxan-4-yl] acetate
PubChem CID156614307
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name[(2R,3R,4S,6R)-3-acetyloxy-6-hydroxy-2-methyloxan-4-yl] acetate
SMILESCC(=O)O[C@H]1[C@@H](OC(C)=O)C[C@H](O)O[C@@H]1C
InChIInChI=1S/C10H16O6/c1-5-10(16-7(3)12)8(15-6(2)11)4-9(13)14-5/h5,8-10,13H,4H2,1-3H3/t5-,8+,9-,10-/m1/s1
InChIKeyAUHYUSJXUNPACJ-KNPZVZKISA-N
XLogP-0.02
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R,3R,4S,6R)-3-acetyloxy-6-hydroxy-2-methyloxan-4-yl] acetate with MolForge

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Related Compounds

[(2S,3S,4S,6S)-3-acetyloxy-6-chloro-2-methyloxan-4-yl] acetate
CID 13252618
[(2S,3R,4S)-3-acetyloxy-6-bromo-2-methyloxan-4-yl] acetate
CID 10891746
[(2S,3S,4S,6R)-3-acetyloxy-6-chloro-2-methyloxan-4-yl] acetate
CID 70538899
[(2S,3R,4S,6S)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 124546051
[(3S,4S,6R)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 12903122
[(2R,3S,4R,6S)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 12903120
[(2S,3R,4R,6S)-6-hydroxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate
CID 15143831
[(2S,3S,4S,6S)-3-acetyloxy-2-methyl-6-phenyloxan-4-yl] acetate
CID 10039969
[(2R,3R,4R)-2-ethyl-6-hydroxy-3-methyloxan-4-yl] acetate
CID 134194797
[(1R,2R,3R,4R)-2,3,4-triacetyloxycyclopentyl] acetate
CID 101209546
[(1S,2R,3R,4R,5R)-2,3,4-triacetyloxy-5-methylcyclohexyl] acetate
CID 170294536
[(2S,3R,4S,6S)-3-benzoyloxy-6-hydroxy-2-methyloxan-4-yl] benzoate
CID 10383621

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,6R)-3-acetyloxy-6-hydroxy-2-methyloxan-4-yl] acetate?
The IUPAC name of [(2R,3R,4S,6R)-3-acetyloxy-6-hydroxy-2-methyloxan-4-yl] acetate (CID 156614307) is [(2R,3R,4S,6R)-3-acetyloxy-6-hydroxy-2-methyloxan-4-yl] acetate.
What is the SMILES notation for [(2R,3R,4S,6R)-3-acetyloxy-6-hydroxy-2-methyloxan-4-yl] acetate?
The canonical SMILES for [(2R,3R,4S,6R)-3-acetyloxy-6-hydroxy-2-methyloxan-4-yl] acetate is CC(=O)O[C@H]1[C@@H](OC(C)=O)C[C@H](O)O[C@@H]1C.
What is the InChIKey of [(2R,3R,4S,6R)-3-acetyloxy-6-hydroxy-2-methyloxan-4-yl] acetate?
The InChIKey is AUHYUSJXUNPACJ-KNPZVZKISA-N. The full InChI is InChI=1S/C10H16O6/c1-5-10(16-7(3)12)8(15-6(2)11)4-9(13)14-5/h5,8-10,13H,4H2,1-3H3/t5-,8+,9-,10-/m1/s1.
What are the key properties of [(2R,3R,4S,6R)-3-acetyloxy-6-hydroxy-2-methyloxan-4-yl] acetate?
[(2R,3R,4S,6R)-3-acetyloxy-6-hydroxy-2-methyloxan-4-yl] acetate has a molecular weight of 232.23 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,6R)-3-acetyloxy-6-hydroxy-2-methyloxan-4-yl] acetate is sourced from PubChem (CID 156614307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).