(2S)-2-ethoxy-5-ethyl-6-(hydroxymethyl)oxane-3,4-diol

C10H20O5 — CID 174085812

IUPAC(2S)-2-ethoxy-5-ethyl-6-(hydroxymethyl)oxane-3,4-diol
SMILESCCO[C@H]1OC(CO)C(CC)C(O)C1O
InChIInChI=1S/C10H20O5/c1-3-6-7(5-11)15-10(14-4-2)9(13)8(6)12/h6-13H,3-5H2,1-2H3/t6?,7?,8?,9?,10-/m0/s1
InChIKeyWFCPDALFLNZFCV-XZXVQBCNSA-N
MW220.26 g/mol
LogP-0.51
Rot. Bonds4

About (2S)-2-ethoxy-5-ethyl-6-(hydroxymethyl)oxane-3,4-diol

(2S)-2-ethoxy-5-ethyl-6-(hydroxymethyl)oxane-3,4-diol (PubChem CID 174085812) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is (2S)-2-ethoxy-5-ethyl-6-(hydroxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2S)-2-ethoxy-5-ethyl-6-(hydroxymethyl)oxane-3,4-diol
PubChem CID174085812
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name(2S)-2-ethoxy-5-ethyl-6-(hydroxymethyl)oxane-3,4-diol
SMILESCCO[C@H]1OC(CO)C(CC)C(O)C1O
InChIInChI=1S/C10H20O5/c1-3-6-7(5-11)15-10(14-4-2)9(13)8(6)12/h6-13H,3-5H2,1-2H3/t6?,7?,8?,9?,10-/m0/s1
InChIKeyWFCPDALFLNZFCV-XZXVQBCNSA-N
XLogP-0.51
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4R,5R)-2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 14353032
2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 548249
(2R,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 121419897
(2S,3S,4S,5S,6S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91694274
(3R,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 167273002
(2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 67410978
(4S,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 160607316
(2R,3S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 121297517
actinium;(2S,4S,5S)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59059867
(3R,4R,5S,6R)-2-ethoxy-5-(18F)fluoro-6-(hydroxymethyl)oxane-3,4-diol
CID 15949155
(3R,4R,5R,6R)-2-ethoxy-6-(hydroxymethyl)-5-(123I)iodooxane-3,4-diol
CID 15949341
(2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
CID 101177678

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-5-ethyl-6-(hydroxymethyl)oxane-3,4-diol?
The IUPAC name of (2S)-2-ethoxy-5-ethyl-6-(hydroxymethyl)oxane-3,4-diol (CID 174085812) is (2S)-2-ethoxy-5-ethyl-6-(hydroxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2S)-2-ethoxy-5-ethyl-6-(hydroxymethyl)oxane-3,4-diol?
The canonical SMILES for (2S)-2-ethoxy-5-ethyl-6-(hydroxymethyl)oxane-3,4-diol is CCO[C@H]1OC(CO)C(CC)C(O)C1O.
What is the InChIKey of (2S)-2-ethoxy-5-ethyl-6-(hydroxymethyl)oxane-3,4-diol?
The InChIKey is WFCPDALFLNZFCV-XZXVQBCNSA-N. The full InChI is InChI=1S/C10H20O5/c1-3-6-7(5-11)15-10(14-4-2)9(13)8(6)12/h6-13H,3-5H2,1-2H3/t6?,7?,8?,9?,10-/m0/s1.
What are the key properties of (2S)-2-ethoxy-5-ethyl-6-(hydroxymethyl)oxane-3,4-diol?
(2S)-2-ethoxy-5-ethyl-6-(hydroxymethyl)oxane-3,4-diol has a molecular weight of 220.26 g/mol, XLogP of -0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-5-ethyl-6-(hydroxymethyl)oxane-3,4-diol is sourced from PubChem (CID 174085812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).