ethyl (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyloxolane-2-carboxylate

C8H14O6 — CID 143865006

IUPACethyl (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyloxolane-2-carboxylate
SMILESCCOC(=O)[C@]1(O)O[C@H](C)[C@H](O)[C@H]1O
InChIInChI=1S/C8H14O6/c1-3-13-7(11)8(12)6(10)5(9)4(2)14-8/h4-6,9-10,12H,3H2,1-2H3/t4-,5+,6-,8-/m1/s1
InChIKeySSEWSLXKTGOESL-BYPJNBLXSA-N
MW206.19 g/mol
LogP-1.62
Rot. Bonds2

About ethyl (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyloxolane-2-carboxylate

ethyl (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyloxolane-2-carboxylate (PubChem CID 143865006) has the molecular formula C8H14O6 and a molecular weight of 206.19 g/mol. Its IUPAC name is ethyl (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyloxolane-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyloxolane-2-carboxylate
PubChem CID143865006
Molecular FormulaC8H14O6
Molecular Weight206.19 g/mol
Exact Mass206.08
IUPAC Nameethyl (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyloxolane-2-carboxylate
SMILESCCOC(=O)[C@]1(O)O[C@H](C)[C@H](O)[C@H]1O
InChIInChI=1S/C8H14O6/c1-3-13-7(11)8(12)6(10)5(9)4(2)14-8/h4-6,9-10,12H,3H2,1-2H3/t4-,5+,6-,8-/m1/s1
InChIKeySSEWSLXKTGOESL-BYPJNBLXSA-N
XLogP-1.62
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (2S,3R)-2,3-dimethyloxirane-2-carboxylate
CID 45090035
diethyl 2,4-dimethyl-2H-furan-5,5-dicarboxylate
CID 163379847
1-[(3S,4R,5S,6R)-3-amino-2,4,5-trihydroxy-6-methyloxan-2-yl]ethanone
CID 175945022
diethyl 2-methyl-2,5-dihydropyran-6,6-dicarboxylate
CID 565728
ethyl 2-(2-methoxy-2-oxoethyl)-3-methyloxirane-2-carboxylate
CID 10081554
(2R,3S,4R,5S,6S)-2-ethoxy-6-methyl-2-sulfanyloxane-3,4,5-triol
CID 174689500
diethyl 2-methyl-1,3-dioxane-5,5-dicarboxylate
CID 15130485
ethyl (3aR,6aS)-6a-hydroxy-1-methyl-1,2,3,4,5,6-hexahydropentalene-3a-carboxylate
CID 11735992
diethyl 4-methyl-5-oxooxolane-3,3-dicarboxylate
CID 131888286
ethyl (1S,2S,4S,6R)-5-hydroxy-8,8-dimethyl-7,9-dioxatricyclo[4.3.0.02,4]nonane-4-carboxylate
CID 155185116
diethyl (4R)-4-(4-chlorophenyl)oxetane-2,2-dicarboxylate
CID 135025934
diethyl 1,2,3-trimethylcyclopentane-1,3-dicarboxylate
CID 143831911

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyloxolane-2-carboxylate?
The IUPAC name of ethyl (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyloxolane-2-carboxylate (CID 143865006) is ethyl (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyloxolane-2-carboxylate.
What is the SMILES notation for ethyl (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyloxolane-2-carboxylate?
The canonical SMILES for ethyl (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyloxolane-2-carboxylate is CCOC(=O)[C@]1(O)O[C@H](C)[C@H](O)[C@H]1O.
What is the InChIKey of ethyl (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyloxolane-2-carboxylate?
The InChIKey is SSEWSLXKTGOESL-BYPJNBLXSA-N. The full InChI is InChI=1S/C8H14O6/c1-3-13-7(11)8(12)6(10)5(9)4(2)14-8/h4-6,9-10,12H,3H2,1-2H3/t4-,5+,6-,8-/m1/s1.
What are the key properties of ethyl (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyloxolane-2-carboxylate?
ethyl (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyloxolane-2-carboxylate has a molecular weight of 206.19 g/mol, XLogP of -1.62, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyloxolane-2-carboxylate is sourced from PubChem (CID 143865006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).