[(2S)-2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-hydroxyethyl] acetate

C14H24O7 — CID 12014898

IUPAC[(2S)-2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-hydroxyethyl] acetate
SMILESCC(=O)OC[C@H](O)[C@]1(C)CC[C@H]([C@](C)(O)COC(C)=O)O1
InChIInChI=1S/C14H24O7/c1-9(15)19-7-11(17)14(4)6-5-12(21-14)13(3,18)8-20-10(2)16/h11-12,17-18H,5-8H2,1-4H3/t11-,12+,13+,14-/m0/s1
InChIKeyGBHILXCXVRFBER-DGAVXFQQSA-N
MW304.34 g/mol
LogP0.16
Rot. Bonds6

About [(2S)-2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-hydroxyethyl] acetate

[(2S)-2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-hydroxyethyl] acetate (PubChem CID 12014898) has the molecular formula C14H24O7 and a molecular weight of 304.34 g/mol. Its IUPAC name is [(2S)-2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-hydroxyethyl] acetate.

Molecular Properties

Compound Name[(2S)-2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-hydroxyethyl] acetate
PubChem CID12014898
Molecular FormulaC14H24O7
Molecular Weight304.34 g/mol
Exact Mass304.15
IUPAC Name[(2S)-2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-hydroxyethyl] acetate
SMILESCC(=O)OC[C@H](O)[C@]1(C)CC[C@H]([C@](C)(O)COC(C)=O)O1
InChIInChI=1S/C14H24O7/c1-9(15)19-7-11(17)14(4)6-5-12(21-14)13(3,18)8-20-10(2)16/h11-12,17-18H,5-8H2,1-4H3/t11-,12+,13+,14-/m0/s1
InChIKeyGBHILXCXVRFBER-DGAVXFQQSA-N
XLogP0.16
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-hydroxyethyl] acetate?
The IUPAC name of [(2S)-2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-hydroxyethyl] acetate (CID 12014898) is [(2S)-2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-hydroxyethyl] acetate.
What is the SMILES notation for [(2S)-2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-hydroxyethyl] acetate?
The canonical SMILES for [(2S)-2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-hydroxyethyl] acetate is CC(=O)OC[C@H](O)[C@]1(C)CC[C@H]([C@](C)(O)COC(C)=O)O1.
What is the InChIKey of [(2S)-2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-hydroxyethyl] acetate?
The InChIKey is GBHILXCXVRFBER-DGAVXFQQSA-N. The full InChI is InChI=1S/C14H24O7/c1-9(15)19-7-11(17)14(4)6-5-12(21-14)13(3,18)8-20-10(2)16/h11-12,17-18H,5-8H2,1-4H3/t11-,12+,13+,14-/m0/s1.
What are the key properties of [(2S)-2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-hydroxyethyl] acetate?
[(2S)-2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-hydroxyethyl] acetate has a molecular weight of 304.34 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(2S,5R)-5-[(2R)-1-acetyloxy-2-hydroxypropan-2-yl]-2-methyloxolan-2-yl]-2-hydroxyethyl] acetate is sourced from PubChem (CID 12014898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).