[(2S,3S,4S,6R)-3-acetyloxy-6-[(2S,3R,4S,5S)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-2-methyloxan-4-yl] acetate

C16H26O10 — CID 102142022

IUPAC[(2S,3S,4S,6R)-3-acetyloxy-6-[(2S,3R,4S,5S)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-2-methyloxan-4-yl] acetate
SMILESCO[C@H]1OC[C@H](O)[C@H](O[C@@H]2C[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](C)O2)[C@H]1O
InChIInChI=1S/C16H26O10/c1-7-14(25-9(3)18)11(24-8(2)17)5-12(23-7)26-15-10(19)6-22-16(21-4)13(15)20/h7,10-16,19-20H,5-6H2,1-4H3/t7-,10-,11-,12+,13+,14-,15-,16-/m0/s1
InChIKeyWRHYWGTUDRTNGT-RIBLFWBKSA-N
MW378.37 g/mol
LogP-0.91
Rot. Bonds5

About [(2S,3S,4S,6R)-3-acetyloxy-6-[(2S,3R,4S,5S)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-2-methyloxan-4-yl] acetate

[(2S,3S,4S,6R)-3-acetyloxy-6-[(2S,3R,4S,5S)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-2-methyloxan-4-yl] acetate (PubChem CID 102142022) has the molecular formula C16H26O10 and a molecular weight of 378.37 g/mol. Its IUPAC name is [(2S,3S,4S,6R)-3-acetyloxy-6-[(2S,3R,4S,5S)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-2-methyloxan-4-yl] acetate.

Molecular Properties

Compound Name[(2S,3S,4S,6R)-3-acetyloxy-6-[(2S,3R,4S,5S)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-2-methyloxan-4-yl] acetate
PubChem CID102142022
Molecular FormulaC16H26O10
Molecular Weight378.37 g/mol
Exact Mass378.15
IUPAC Name[(2S,3S,4S,6R)-3-acetyloxy-6-[(2S,3R,4S,5S)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-2-methyloxan-4-yl] acetate
SMILESCO[C@H]1OC[C@H](O)[C@H](O[C@@H]2C[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](C)O2)[C@H]1O
InChIInChI=1S/C16H26O10/c1-7-14(25-9(3)18)11(24-8(2)17)5-12(23-7)26-15-10(19)6-22-16(21-4)13(15)20/h7,10-16,19-20H,5-6H2,1-4H3/t7-,10-,11-,12+,13+,14-,15-,16-/m0/s1
InChIKeyWRHYWGTUDRTNGT-RIBLFWBKSA-N
XLogP-0.91
TPSA129.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze [(2S,3S,4S,6R)-3-acetyloxy-6-[(2S,3R,4S,5S)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-2-methyloxan-4-yl] acetate with MolForge

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Launch Full Analysis

Related Compounds

[(2S,3S,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl] acetate
CID 102251070
[4-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methoxy-2-methyloxan-3-yl] acetate
CID 20577436
[(2R,3R,4S,5S)-4,5-dihydroxy-2-methoxyoxan-3-yl] acetate
CID 14412088
[(2S,3S,4S,5R,6R)-4-acetyloxy-5-hydroxy-6-methoxy-2-methyloxan-3-yl] acetate
CID 15043215
[4-[4-hydroxy-5-[4-hydroxy-5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methoxy-2-methyloxan-3-yl] acetate
CID 20577435
[(2S,3R,4S,6R)-6-[(2S,3R,4S)-6-chloro-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl] acetate
CID 22808056
[3-hydroxy-6-[4-hydroxy-6-(4-hydroxy-2,6-dimethyloxan-3-yl)oxy-2-methyloxan-3-yl]oxy-2-methyloxan-4-yl] acetate
CID 77477198
[(2R,3R,4S,6R)-3-acetyloxy-6-hydroxy-2-methyloxan-4-yl] acetate
CID 156614307
(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
CID 10924935
[(3S,4S,5R,6S)-4,6-diacetyloxy-5-hydroxyoxan-3-yl] acetate
CID 11903840
[(2R,3S,4R)-4-hydroxy-2-methyloxolan-3-yl] acetate
CID 56963742
(2S,3R,4S,5R)-2,4-dimethoxyoxane-3,5-diol
CID 100984386

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4S,6R)-3-acetyloxy-6-[(2S,3R,4S,5S)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-2-methyloxan-4-yl] acetate?
The IUPAC name of [(2S,3S,4S,6R)-3-acetyloxy-6-[(2S,3R,4S,5S)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-2-methyloxan-4-yl] acetate (CID 102142022) is [(2S,3S,4S,6R)-3-acetyloxy-6-[(2S,3R,4S,5S)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-2-methyloxan-4-yl] acetate.
What is the SMILES notation for [(2S,3S,4S,6R)-3-acetyloxy-6-[(2S,3R,4S,5S)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-2-methyloxan-4-yl] acetate?
The canonical SMILES for [(2S,3S,4S,6R)-3-acetyloxy-6-[(2S,3R,4S,5S)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-2-methyloxan-4-yl] acetate is CO[C@H]1OC[C@H](O)[C@H](O[C@@H]2C[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](C)O2)[C@H]1O.
What is the InChIKey of [(2S,3S,4S,6R)-3-acetyloxy-6-[(2S,3R,4S,5S)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-2-methyloxan-4-yl] acetate?
The InChIKey is WRHYWGTUDRTNGT-RIBLFWBKSA-N. The full InChI is InChI=1S/C16H26O10/c1-7-14(25-9(3)18)11(24-8(2)17)5-12(23-7)26-15-10(19)6-22-16(21-4)13(15)20/h7,10-16,19-20H,5-6H2,1-4H3/t7-,10-,11-,12+,13+,14-,15-,16-/m0/s1.
What are the key properties of [(2S,3S,4S,6R)-3-acetyloxy-6-[(2S,3R,4S,5S)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-2-methyloxan-4-yl] acetate?
[(2S,3S,4S,6R)-3-acetyloxy-6-[(2S,3R,4S,5S)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-2-methyloxan-4-yl] acetate has a molecular weight of 378.37 g/mol, XLogP of -0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4S,6R)-3-acetyloxy-6-[(2S,3R,4S,5S)-3,5-dihydroxy-2-methoxyoxan-4-yl]oxy-2-methyloxan-4-yl] acetate is sourced from PubChem (CID 102142022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).