[(2R,3S,4S)-2,3-diacetyloxyoxan-4-yl] acetate

C11H16O7 — CID 10901352

IUPAC[(2R,3S,4S)-2,3-diacetyloxyoxan-4-yl] acetate
SMILESCC(=O)O[C@H]1OCC[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C11H16O7/c1-6(12)16-9-4-5-15-11(18-8(3)14)10(9)17-7(2)13/h9-11H,4-5H2,1-3H3/t9-,10-,11+/m0/s1
InChIKeyGFIGSMQYDDYOSG-GARJFASQSA-N
MW260.24 g/mol
LogP0.16
Rot. Bonds3

About [(2R,3S,4S)-2,3-diacetyloxyoxan-4-yl] acetate

[(2R,3S,4S)-2,3-diacetyloxyoxan-4-yl] acetate (PubChem CID 10901352) has the molecular formula C11H16O7 and a molecular weight of 260.24 g/mol. Its IUPAC name is [(2R,3S,4S)-2,3-diacetyloxyoxan-4-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,4S)-2,3-diacetyloxyoxan-4-yl] acetate
PubChem CID10901352
Molecular FormulaC11H16O7
Molecular Weight260.24 g/mol
Exact Mass260.09
IUPAC Name[(2R,3S,4S)-2,3-diacetyloxyoxan-4-yl] acetate
SMILESCC(=O)O[C@H]1OCC[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C11H16O7/c1-6(12)16-9-4-5-15-11(18-8(3)14)10(9)17-7(2)13/h9-11H,4-5H2,1-3H3/t9-,10-,11+/m0/s1
InChIKeyGFIGSMQYDDYOSG-GARJFASQSA-N
XLogP0.16
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

[(3R,4S,5R,6R)-4,5,6-triacetyloxyoxan-3-yl] acetate
CID 12907258
(3-acetyloxy-2-phenylmethoxyoxan-4-yl) acetate
CID 23271774
[(4S)-3,4-diacetyloxyoxan-2-yl]methyl acetate
CID 168951492
[(3R,4S,5R,6S)-4,5-diacetyloxy-6-[(3R,4S,5R,6S)-4,5,6-triacetyloxyoxan-3-yl]oxyoxan-3-yl] acetate
CID 10951584
[2-(4-hydroxyphenoxy)oxolan-3-yl] acetate
CID 54441941
[(3S,4S,5R,6S)-4,6-diacetyloxy-5-hydroxyoxan-3-yl] acetate
CID 11903840
[(2R,3R,4S,5R)-2-acetyloxy-4,5-dimethoxyoxan-3-yl] acetate
CID 139499665
(3-fluorooxan-2-yl) acetate
CID 134578078
[(3R,4S,5R)-4,5-diacetyloxy-6-bromooxyoxan-3-yl] acetate
CID 139488832
[(3R)-3-phenylmethoxyoxolan-2-yl] acetate
CID 134857022
[(3S,4S,5S,6S)-4,5-diacetyloxy-6-(hydroxymethyl)oxan-3-yl] acetate
CID 153365112
[(3R,4S,5R,6S)-5-acetyloxy-4,6-dimethoxyoxan-3-yl] acetate
CID 22212825

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S)-2,3-diacetyloxyoxan-4-yl] acetate?
The IUPAC name of [(2R,3S,4S)-2,3-diacetyloxyoxan-4-yl] acetate (CID 10901352) is [(2R,3S,4S)-2,3-diacetyloxyoxan-4-yl] acetate.
What is the SMILES notation for [(2R,3S,4S)-2,3-diacetyloxyoxan-4-yl] acetate?
The canonical SMILES for [(2R,3S,4S)-2,3-diacetyloxyoxan-4-yl] acetate is CC(=O)O[C@H]1OCC[C@H](OC(C)=O)[C@@H]1OC(C)=O.
What is the InChIKey of [(2R,3S,4S)-2,3-diacetyloxyoxan-4-yl] acetate?
The InChIKey is GFIGSMQYDDYOSG-GARJFASQSA-N. The full InChI is InChI=1S/C11H16O7/c1-6(12)16-9-4-5-15-11(18-8(3)14)10(9)17-7(2)13/h9-11H,4-5H2,1-3H3/t9-,10-,11+/m0/s1.
What are the key properties of [(2R,3S,4S)-2,3-diacetyloxyoxan-4-yl] acetate?
[(2R,3S,4S)-2,3-diacetyloxyoxan-4-yl] acetate has a molecular weight of 260.24 g/mol, XLogP of 0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S)-2,3-diacetyloxyoxan-4-yl] acetate is sourced from PubChem (CID 10901352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).