(2S,5S)-2-ethoxy-6-ethyloxane-3,4,5-triol

C9H18O5 — CID 167273619

IUPAC(2S,5S)-2-ethoxy-6-ethyloxane-3,4,5-triol
SMILESCCO[C@H]1OC(CC)[C@@H](O)C(O)C1O
InChIInChI=1S/C9H18O5/c1-3-5-6(10)7(11)8(12)9(14-5)13-4-2/h5-12H,3-4H2,1-2H3/t5?,6-,7?,8?,9+/m1/s1
InChIKeyMVHLPWFLKXTUEX-FUONYNRVSA-N
MW206.24 g/mol
LogP-0.76
Rot. Bonds3

About (2S,5S)-2-ethoxy-6-ethyloxane-3,4,5-triol

(2S,5S)-2-ethoxy-6-ethyloxane-3,4,5-triol (PubChem CID 167273619) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is (2S,5S)-2-ethoxy-6-ethyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,5S)-2-ethoxy-6-ethyloxane-3,4,5-triol
PubChem CID167273619
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name(2S,5S)-2-ethoxy-6-ethyloxane-3,4,5-triol
SMILESCCO[C@H]1OC(CC)[C@@H](O)C(O)C1O
InChIInChI=1S/C9H18O5/c1-3-5-6(10)7(11)8(12)9(14-5)13-4-2/h5-12H,3-4H2,1-2H3/t5?,6-,7?,8?,9+/m1/s1
InChIKeyMVHLPWFLKXTUEX-FUONYNRVSA-N
XLogP-0.76
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(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,5R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 121419897
(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
(2R,3R,4R,5R)-2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 14353032
2-ethoxy-5-(hydroxymethyl)oxolane-3,4-diol
CID 548249
2-ethyl-6-methoxyoxane-3,4,5-triol
CID 21334747
(3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol
CID 58503038
(2S)-2-ethoxy-5-ethyl-6-(hydroxymethyl)oxane-3,4-diol
CID 174085812

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-ethoxy-6-ethyloxane-3,4,5-triol?
The IUPAC name of (2S,5S)-2-ethoxy-6-ethyloxane-3,4,5-triol (CID 167273619) is (2S,5S)-2-ethoxy-6-ethyloxane-3,4,5-triol.
What is the SMILES notation for (2S,5S)-2-ethoxy-6-ethyloxane-3,4,5-triol?
The canonical SMILES for (2S,5S)-2-ethoxy-6-ethyloxane-3,4,5-triol is CCO[C@H]1OC(CC)[C@@H](O)C(O)C1O.
What is the InChIKey of (2S,5S)-2-ethoxy-6-ethyloxane-3,4,5-triol?
The InChIKey is MVHLPWFLKXTUEX-FUONYNRVSA-N. The full InChI is InChI=1S/C9H18O5/c1-3-5-6(10)7(11)8(12)9(14-5)13-4-2/h5-12H,3-4H2,1-2H3/t5?,6-,7?,8?,9+/m1/s1.
What are the key properties of (2S,5S)-2-ethoxy-6-ethyloxane-3,4,5-triol?
(2S,5S)-2-ethoxy-6-ethyloxane-3,4,5-triol has a molecular weight of 206.24 g/mol, XLogP of -0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-ethoxy-6-ethyloxane-3,4,5-triol is sourced from PubChem (CID 167273619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).