[(2R,3R,4R,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate

C11H16O7 — CID 34174531

IUPAC[(2R,3R,4R,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate
SMILESCC(=O)O[C@H]1O[C@H](C)[C@@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C11H16O7/c1-5-9(16-6(2)12)10(17-7(3)13)11(15-5)18-8(4)14/h5,9-11H,1-4H3/t5-,9-,10-,11-/m1/s1
InChIKeyNXEJETQVUQAKTO-VVFBATEQSA-N
MW260.24 g/mol
LogP0.16
Rot. Bonds3

About [(2R,3R,4R,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate

[(2R,3R,4R,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate (PubChem CID 34174531) has the molecular formula C11H16O7 and a molecular weight of 260.24 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate
PubChem CID34174531
Molecular FormulaC11H16O7
Molecular Weight260.24 g/mol
Exact Mass260.09
IUPAC Name[(2R,3R,4R,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate
SMILESCC(=O)O[C@H]1O[C@H](C)[C@@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C11H16O7/c1-5-9(16-6(2)12)10(17-7(3)13)11(15-5)18-8(4)14/h5,9-11H,1-4H3/t5-,9-,10-,11-/m1/s1
InChIKeyNXEJETQVUQAKTO-VVFBATEQSA-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

[(2R,3S,4S,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate
CID 70178929
[(2S,4S,5S,6S)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 44629963
[(3R,4S,6S)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 71196175
[(5S)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 126692010
[(2S,3S,5R)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 70923261
[(3S,4S)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 70841955
[(2R,3S,4R,5R,6R)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 70005151
[(3R,5R,6R)-5,6-diacetyloxy-4-methoxy-2-methyloxan-3-yl] acetate
CID 45050652
[(2R,3S,4S,5R)-4,5-diacetyloxy-6-bromooxy-2-methyloxan-3-yl] acetate
CID 69342653
[(2S,5S)-2,3,5,6-tetraacetyloxyoxan-4-yl] acetate
CID 134940268
[(3S,5S,6S)-2-acetyloxy-4,5,6-trimethyloxan-3-yl] acetate
CID 71182491
[(3S,6R)-4,5-diacetyloxy-2-methyl-6-[[(3R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methoxy]oxan-3-yl] acetate
CID 133126447

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate?
The IUPAC name of [(2R,3R,4R,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate (CID 34174531) is [(2R,3R,4R,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate.
What is the SMILES notation for [(2R,3R,4R,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate?
The canonical SMILES for [(2R,3R,4R,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate is CC(=O)O[C@H]1O[C@H](C)[C@@H](OC(C)=O)[C@H]1OC(C)=O.
What is the InChIKey of [(2R,3R,4R,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate?
The InChIKey is NXEJETQVUQAKTO-VVFBATEQSA-N. The full InChI is InChI=1S/C11H16O7/c1-5-9(16-6(2)12)10(17-7(3)13)11(15-5)18-8(4)14/h5,9-11H,1-4H3/t5-,9-,10-,11-/m1/s1.
What are the key properties of [(2R,3R,4R,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate?
[(2R,3R,4R,5R)-4,5-diacetyloxy-2-methyloxolan-3-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,3R,4R,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate is sourced from PubChem (CID 34174531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).