[(2S,5R,6R)-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl acetate

C9H16O6 — CID 146385304

IUPAC[(2S,5R,6R)-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl acetate
SMILESCO[C@@H]1O[C@H](COC(C)=O)CC(O)[C@H]1O
InChIInChI=1S/C9H16O6/c1-5(10)14-4-6-3-7(11)8(12)9(13-2)15-6/h6-9,11-12H,3-4H2,1-2H3/t6-,7?,8+,9+/m0/s1
InChIKeyFLMPALSXXIVRNR-KKVHJZIVSA-N
MW220.22 g/mol
LogP-0.97
Rot. Bonds3

About [(2S,5R,6R)-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl acetate

[(2S,5R,6R)-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl acetate (PubChem CID 146385304) has the molecular formula C9H16O6 and a molecular weight of 220.22 g/mol. Its IUPAC name is [(2S,5R,6R)-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2S,5R,6R)-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl acetate
PubChem CID146385304
Molecular FormulaC9H16O6
Molecular Weight220.22 g/mol
Exact Mass220.09
IUPAC Name[(2S,5R,6R)-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl acetate
SMILESCO[C@@H]1O[C@H](COC(C)=O)CC(O)[C@H]1O
InChIInChI=1S/C9H16O6/c1-5(10)14-4-6-3-7(11)8(12)9(13-2)15-6/h6-9,11-12H,3-4H2,1-2H3/t6-,7?,8+,9+/m0/s1
InChIKeyFLMPALSXXIVRNR-KKVHJZIVSA-N
XLogP-0.97
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5-hydroxy-4-methoxy-6-methyloxan-2-yl)methyl acetate
CID 145462771
6-(aminomethyl)-2-methoxyoxane-3,4-diol;ethane
CID 142004285
(2S,3S,4S,6R)-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 93090180
methyl 2-(4,5-dihydroxy-6-methoxyoxan-2-yl)acetate
CID 67990824
(4-hydroxyoxetan-2-yl)methyl acetate
CID 67977653
[(2S)-4-hydroxyoxetan-2-yl]methyl acetate
CID 67977655
[(3S,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl acetate
CID 70987499
[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl acetate
CID 54180904
[4,5-dihydroxy-6-(4-hydroxyphenyl)oxan-2-yl]methyl acetate
CID 123206550
[(2S,5S)-4,5-diacetyloxyoxolan-2-yl]methyl acetate
CID 144683652
[(2R,3R,4S,5S,6R)-4-acetyloxy-3,5-dihydroxy-6-methoxyoxan-2-yl]methyl acetate
CID 102086986
(5-acetamido-4-acetyloxy-6-methoxyoxan-2-yl)methyl acetate
CID 121353630

Frequently Asked Questions

What is the IUPAC name of [(2S,5R,6R)-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl acetate?
The IUPAC name of [(2S,5R,6R)-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl acetate (CID 146385304) is [(2S,5R,6R)-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl acetate.
What is the SMILES notation for [(2S,5R,6R)-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl acetate?
The canonical SMILES for [(2S,5R,6R)-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl acetate is CO[C@@H]1O[C@H](COC(C)=O)CC(O)[C@H]1O.
What is the InChIKey of [(2S,5R,6R)-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl acetate?
The InChIKey is FLMPALSXXIVRNR-KKVHJZIVSA-N. The full InChI is InChI=1S/C9H16O6/c1-5(10)14-4-6-3-7(11)8(12)9(13-2)15-6/h6-9,11-12H,3-4H2,1-2H3/t6-,7?,8+,9+/m0/s1.
What are the key properties of [(2S,5R,6R)-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl acetate?
[(2S,5R,6R)-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl acetate has a molecular weight of 220.22 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R,6R)-4,5-dihydroxy-6-methoxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 146385304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).