[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl] acetate

C11H20O7 — CID 14337642

IUPAC[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl] acetate
SMILESCOC[C@H]1O[C@H](O)[C@H](OC)[C@@H](OC)[C@@H]1OC(C)=O
InChIInChI=1S/C11H20O7/c1-6(12)17-8-7(5-14-2)18-11(13)10(16-4)9(8)15-3/h7-11,13H,5H2,1-4H3/t7-,8-,9+,10-,11+/m1/s1
InChIKeyIICUKSSJKYBHQX-NZFPMDFQSA-N
MW264.27 g/mol
LogP-0.69
Rot. Bonds5

About [(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl] acetate

[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl] acetate (PubChem CID 14337642) has the molecular formula C11H20O7 and a molecular weight of 264.27 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl] acetate
PubChem CID14337642
Molecular FormulaC11H20O7
Molecular Weight264.27 g/mol
Exact Mass264.12
IUPAC Name[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl] acetate
SMILESCOC[C@H]1O[C@H](O)[C@H](OC)[C@@H](OC)[C@@H]1OC(C)=O
InChIInChI=1S/C11H20O7/c1-6(12)17-8-7(5-14-2)18-11(13)10(16-4)9(8)15-3/h7-11,13H,5H2,1-4H3/t7-,8-,9+,10-,11+/m1/s1
InChIKeyIICUKSSJKYBHQX-NZFPMDFQSA-N
XLogP-0.69
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl] acetate with MolForge

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Related Compounds

(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
CID 12903171
(2S,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol
CID 12903172
(3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-ol;hydrobromide
CID 175363710
[(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)oxan-3-yl] acetate
CID 14447784
[(2R,3R,4S,5S,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl] acetate
CID 23253170
[4-acetyloxy-5-hydroxy-2-(methoxymethyl)-6-methyloxan-3-yl] acetate
CID 129093778
[(3R,4S,6R)-3,4,5-triacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 90927785
[(3S,5S,6R)-3,4,5-triacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 118895544
[(2R,3R,4S,5R,6S)-4,5,6-triacetyloxy-2-(methoxymethyl)oxan-3-yl] acetate
CID 91751777
[(2S,3R,4R,5S)-4,5,6-triacetyloxy-2-(methoxymethyl)oxan-3-yl] acetate
CID 131709256
[(2R,3R,4R,5R)-4-acetyloxy-2-(cyclopropyloxymethyl)-5-hydroxyoxolan-3-yl] acetate
CID 141061687
(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(methoxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dimethoxy-6-(methoxymethyl)oxan-2-ol
CID 156615341

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl] acetate?
The IUPAC name of [(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl] acetate (CID 14337642) is [(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl] acetate.
What is the SMILES notation for [(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl] acetate?
The canonical SMILES for [(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl] acetate is COC[C@H]1O[C@H](O)[C@H](OC)[C@@H](OC)[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl] acetate?
The InChIKey is IICUKSSJKYBHQX-NZFPMDFQSA-N. The full InChI is InChI=1S/C11H20O7/c1-6(12)17-8-7(5-14-2)18-11(13)10(16-4)9(8)15-3/h7-11,13H,5H2,1-4H3/t7-,8-,9+,10-,11+/m1/s1.
What are the key properties of [(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl] acetate?
[(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl] acetate has a molecular weight of 264.27 g/mol, XLogP of -0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6S)-6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl] acetate is sourced from PubChem (CID 14337642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).