diethyl (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate

C10H18O8 — CID 54417116

IUPACdiethyl (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
SMILESCCOC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)OCC
InChIInChI=1S/C10H18O8/c1-3-17-9(15)7(13)5(11)6(12)8(14)10(16)18-4-2/h5-8,11-14H,3-4H2,1-2H3/t5-,6+,7+,8-
InChIKeyVYFOOXBIRRKSIH-SOSBWXJGSA-N
MW266.25 g/mol
LogP-2.44
Rot. Bonds7

About diethyl (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate

diethyl (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate (PubChem CID 54417116) has the molecular formula C10H18O8 and a molecular weight of 266.25 g/mol. Its IUPAC name is diethyl (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate.

Molecular Properties

Compound Namediethyl (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
PubChem CID54417116
Molecular FormulaC10H18O8
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Namediethyl (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
SMILESCCOC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)OCC
InChIInChI=1S/C10H18O8/c1-3-17-9(15)7(13)5(11)6(12)8(14)10(16)18-4-2/h5-8,11-14H,3-4H2,1-2H3/t5-,6+,7+,8-
InChIKeyVYFOOXBIRRKSIH-SOSBWXJGSA-N
XLogP-2.44
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-2.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of diethyl (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate?
The IUPAC name of diethyl (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate (CID 54417116) is diethyl (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate.
What is the SMILES notation for diethyl (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate?
The canonical SMILES for diethyl (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate is CCOC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)OCC.
What is the InChIKey of diethyl (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate?
The InChIKey is VYFOOXBIRRKSIH-SOSBWXJGSA-N. The full InChI is InChI=1S/C10H18O8/c1-3-17-9(15)7(13)5(11)6(12)8(14)10(16)18-4-2/h5-8,11-14H,3-4H2,1-2H3/t5-,6+,7+,8-.
What are the key properties of diethyl (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate?
diethyl (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate has a molecular weight of 266.25 g/mol, XLogP of -2.44, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate is sourced from PubChem (CID 54417116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).