[(2S,3R,4R,5R)-5-acetyloxy-3,4-dimethoxyoxan-2-yl]methyl acetate

C12H20O7 — CID 91747030

IUPAC[(2S,3R,4R,5R)-5-acetyloxy-3,4-dimethoxyoxan-2-yl]methyl acetate
SMILESCO[C@H]1[C@H](OC)[C@H](OC(C)=O)CO[C@H]1COC(C)=O
InChIInChI=1S/C12H20O7/c1-7(13)17-5-9-11(15-3)12(16-4)10(6-18-9)19-8(2)14/h9-12H,5-6H2,1-4H3/t9-,10+,11+,12+/m0/s1
InChIKeyZIVZYLQMQYPARL-IRCOFANPSA-N
MW276.29 g/mol
LogP-0.09
Rot. Bonds5

About [(2S,3R,4R,5R)-5-acetyloxy-3,4-dimethoxyoxan-2-yl]methyl acetate

[(2S,3R,4R,5R)-5-acetyloxy-3,4-dimethoxyoxan-2-yl]methyl acetate (PubChem CID 91747030) has the molecular formula C12H20O7 and a molecular weight of 276.29 g/mol. Its IUPAC name is [(2S,3R,4R,5R)-5-acetyloxy-3,4-dimethoxyoxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2S,3R,4R,5R)-5-acetyloxy-3,4-dimethoxyoxan-2-yl]methyl acetate
PubChem CID91747030
Molecular FormulaC12H20O7
Molecular Weight276.29 g/mol
Exact Mass276.12
IUPAC Name[(2S,3R,4R,5R)-5-acetyloxy-3,4-dimethoxyoxan-2-yl]methyl acetate
SMILESCO[C@H]1[C@H](OC)[C@H](OC(C)=O)CO[C@H]1COC(C)=O
InChIInChI=1S/C12H20O7/c1-7(13)17-5-9-11(15-3)12(16-4)10(6-18-9)19-8(2)14/h9-12H,5-6H2,1-4H3/t9-,10+,11+,12+/m0/s1
InChIKeyZIVZYLQMQYPARL-IRCOFANPSA-N
XLogP-0.09
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-acetyloxy-3,5-dimethoxyoxan-2-yl)methyl acetate
CID 526606
[(2R)-3,4-diacetyloxyoxolan-2-yl]methyl acetate
CID 70902422
[(2R,3R,4R,5S)-3,4-diacetyloxy-5-methoxyoxan-2-yl]methyl acetate
CID 6428063
[4-acetyloxy-5-(methoxymethyl)oxolan-3-yl] acetate
CID 526631
[(3S,4R,5R,6R)-4,5-diacetyloxy-6-(methoxymethyl)oxan-3-yl] acetate
CID 6428058
[(2S,3R,4S,5S)-3-acetamido-4,5-diacetyloxyoxan-2-yl]methyl acetate
CID 139093780
[(3R,6R)-6-acetyloxy-3,4,5-trimethoxyoxan-2-yl]methyl acetate
CID 6427397
[(2R,3R,4R,5R)-5-(acetyloxymethyl)-3,4-dimethoxyoxolan-2-yl]methyl acetate
CID 67276829
[(2R,3R,4R,5S)-3,4,5-tris[(2-deuterioacetyl)oxy]oxan-2-yl]methyl 2-deuterioacetate
CID 139782838
[(2R,3R,5S)-3,4-diacetyloxy-5-(1-hydroxyethoxy)oxan-2-yl]methyl acetate
CID 135193868
[(3R,4S,5R,6S)-5-acetyloxy-4,6-dimethoxyoxan-3-yl] acetate
CID 22212825
[(4S)-3,4-diacetyloxyoxan-2-yl]methyl acetate
CID 168951492

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,5R)-5-acetyloxy-3,4-dimethoxyoxan-2-yl]methyl acetate?
The IUPAC name of [(2S,3R,4R,5R)-5-acetyloxy-3,4-dimethoxyoxan-2-yl]methyl acetate (CID 91747030) is [(2S,3R,4R,5R)-5-acetyloxy-3,4-dimethoxyoxan-2-yl]methyl acetate.
What is the SMILES notation for [(2S,3R,4R,5R)-5-acetyloxy-3,4-dimethoxyoxan-2-yl]methyl acetate?
The canonical SMILES for [(2S,3R,4R,5R)-5-acetyloxy-3,4-dimethoxyoxan-2-yl]methyl acetate is CO[C@H]1[C@H](OC)[C@H](OC(C)=O)CO[C@H]1COC(C)=O.
What is the InChIKey of [(2S,3R,4R,5R)-5-acetyloxy-3,4-dimethoxyoxan-2-yl]methyl acetate?
The InChIKey is ZIVZYLQMQYPARL-IRCOFANPSA-N. The full InChI is InChI=1S/C12H20O7/c1-7(13)17-5-9-11(15-3)12(16-4)10(6-18-9)19-8(2)14/h9-12H,5-6H2,1-4H3/t9-,10+,11+,12+/m0/s1.
What are the key properties of [(2S,3R,4R,5R)-5-acetyloxy-3,4-dimethoxyoxan-2-yl]methyl acetate?
[(2S,3R,4R,5R)-5-acetyloxy-3,4-dimethoxyoxan-2-yl]methyl acetate has a molecular weight of 276.29 g/mol, XLogP of -0.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,5R)-5-acetyloxy-3,4-dimethoxyoxan-2-yl]methyl acetate is sourced from PubChem (CID 91747030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).