ethyl (2R)-2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetate

C8H14O6 — CID 10856641

IUPACethyl (2R)-2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetate
SMILESCCOC(=O)[C@H](O)[C@H]1OC[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H14O6/c1-2-13-8(12)6(11)7-5(10)4(9)3-14-7/h4-7,9-11H,2-3H2,1H3/t4-,5+,6-,7+/m1/s1
InChIKeyKJXXISZHOROFNR-UCROKIRRSA-N
MW206.19 g/mol
LogP-1.97
Rot. Bonds3

About ethyl (2R)-2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetate

ethyl (2R)-2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetate (PubChem CID 10856641) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is ethyl (2R)-2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl (2R)-2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetate
PubChem CID10856641
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Nameethyl (2R)-2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetate
SMILESCCOC(=O)[C@H](O)[C@H]1OC[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H14O6/c1-2-13-8(12)6(11)7-5(10)4(9)3-14-7/h4-7,9-11H,2-3H2,1H3/t4-,5+,6-,7+/m1/s1
InChIKeyKJXXISZHOROFNR-UCROKIRRSA-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-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetic acid
CID 159612670
[(2R)-2-[(2R,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] acetate
CID 118147027
2-(1-hydroxybutyl)oxolane-3,4-diol
CID 123496613
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;ethane-1,2-diol
CID 66872055
[(2R)-2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethyl] octadecanoate;hexadecan-1-ol
CID 67603814
[(2R)-2-chloro-2-[(2S,3R,4S)-3,4-dihydroxyoxolan-2-yl]ethyl] octadecanoate
CID 121449200
ethyl (2R)-3-hydroxy-2-[2-[(4S,5R)-3,4,5-trihydroxyoxan-2-yl]propanoylamino]propanoate
CID 139475538
ethyl 3-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]butanoate
CID 58633646
(2S,3S,4S)-2-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 11073753
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl dodecanoate
CID 10129826
sodium 2-hydroxy-2-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]acetate
CID 153429784

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetate?
The IUPAC name of ethyl (2R)-2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetate (CID 10856641) is ethyl (2R)-2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetate.
What is the SMILES notation for ethyl (2R)-2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetate?
The canonical SMILES for ethyl (2R)-2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetate is CCOC(=O)[C@H](O)[C@H]1OC[C@@H](O)[C@@H]1O.
What is the InChIKey of ethyl (2R)-2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetate?
The InChIKey is KJXXISZHOROFNR-UCROKIRRSA-N. The full InChI is InChI=1S/C8H14O6/c1-2-13-8(12)6(11)7-5(10)4(9)3-14-7/h4-7,9-11H,2-3H2,1H3/t4-,5+,6-,7+/m1/s1.
What are the key properties of ethyl (2R)-2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetate?
ethyl (2R)-2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetate 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 ethyl (2R)-2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetate is sourced from PubChem (CID 10856641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).