[(2R)-2-[(2R,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] acetate

C8H14O6 — CID 118147027

IUPAC[(2R)-2-[(2R,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] acetate
SMILESCC(=O)OC[C@@H](O)[C@H]1OC[C@@H](O)C1O
InChIInChI=1S/C8H14O6/c1-4(9)13-3-6(11)8-7(12)5(10)2-14-8/h5-8,10-12H,2-3H2,1H3/t5-,6-,7?,8-/m1/s1
InChIKeyBQLDVSROXZYQMG-DCDLSZRSSA-N
MW206.19 g/mol
LogP-1.97
Rot. Bonds3

About [(2R)-2-[(2R,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] acetate

[(2R)-2-[(2R,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] acetate (PubChem CID 118147027) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is [(2R)-2-[(2R,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] acetate.

Molecular Properties

Compound Name[(2R)-2-[(2R,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] acetate
PubChem CID118147027
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Name[(2R)-2-[(2R,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] acetate
SMILESCC(=O)OC[C@@H](O)[C@H]1OC[C@@H](O)C1O
InChIInChI=1S/C8H14O6/c1-4(9)13-3-6(11)8-7(12)5(10)2-14-8/h5-8,10-12H,2-3H2,1H3/t5-,6-,7?,8-/m1/s1
InChIKeyBQLDVSROXZYQMG-DCDLSZRSSA-N
XLogP-1.97
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-1.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 3,3,5,5-tetramethylhexanoate
CID 177343122
[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] 16-methylheptadecanoate
CID 91886584
[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] octadecanoate;ethane-1,2-diol
CID 66872055
azanylidynealumane;[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] octadecanoate
CID 174874295
[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] octadecanoate;hexadecan-1-ol
CID 67603814
[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] octadecanoate;propane-1,2-diol
CID 174945724
[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] octadecanoate;[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-octadec-9-enoate
CID 89464079
ethyl (2R)-2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetate
CID 10856641
alumane;[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] (Z)-octadec-9-enoate
CID 173373263
(2S,3S,4S)-2-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 11073753
2-(1-hydroxybutyl)oxolane-3,4-diol
CID 123496613
[(2S)-2-[(1R,3R)-2,3-dihydroxycyclopentyl]-2-hydroxyethyl] acetate
CID 130243888

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2R,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] acetate?
The IUPAC name of [(2R)-2-[(2R,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] acetate (CID 118147027) is [(2R)-2-[(2R,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] acetate.
What is the SMILES notation for [(2R)-2-[(2R,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] acetate?
The canonical SMILES for [(2R)-2-[(2R,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] acetate is CC(=O)OC[C@@H](O)[C@H]1OC[C@@H](O)C1O.
What is the InChIKey of [(2R)-2-[(2R,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] acetate?
The InChIKey is BQLDVSROXZYQMG-DCDLSZRSSA-N. The full InChI is InChI=1S/C8H14O6/c1-4(9)13-3-6(11)8-7(12)5(10)2-14-8/h5-8,10-12H,2-3H2,1H3/t5-,6-,7?,8-/m1/s1.
What are the key properties of [(2R)-2-[(2R,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] acetate?
[(2R)-2-[(2R,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] acetate has a molecular weight of 206.19 g/mol, XLogP of -1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2R,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] acetate is sourced from PubChem (CID 118147027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).