2-(2,6-diethyl-3,5-dihydroxyoxan-4-yl)oxy-6-ethyloxane-3,4,5-triol

C16H30O8 — CID 21339731

IUPAC2-(2,6-diethyl-3,5-dihydroxyoxan-4-yl)oxy-6-ethyloxane-3,4,5-triol
SMILESCCC1OC(OC2C(O)C(CC)OC(CC)C2O)C(O)C(O)C1O
InChIInChI=1S/C16H30O8/c1-4-7-10(17)13(20)14(21)16(23-7)24-15-11(18)8(5-2)22-9(6-3)12(15)19/h7-21H,4-6H2,1-3H3
InChIKeyVRXQSWMIEJIJNM-UHFFFAOYSA-N
MW350.41 g/mol
LogP-1.10
Rot. Bonds5

About 2-(2,6-diethyl-3,5-dihydroxyoxan-4-yl)oxy-6-ethyloxane-3,4,5-triol

2-(2,6-diethyl-3,5-dihydroxyoxan-4-yl)oxy-6-ethyloxane-3,4,5-triol (PubChem CID 21339731) has the molecular formula C16H30O8 and a molecular weight of 350.41 g/mol. Its IUPAC name is 2-(2,6-diethyl-3,5-dihydroxyoxan-4-yl)oxy-6-ethyloxane-3,4,5-triol.

Molecular Properties

Compound Name2-(2,6-diethyl-3,5-dihydroxyoxan-4-yl)oxy-6-ethyloxane-3,4,5-triol
PubChem CID21339731
Molecular FormulaC16H30O8
Molecular Weight350.41 g/mol
Exact Mass350.19
IUPAC Name2-(2,6-diethyl-3,5-dihydroxyoxan-4-yl)oxy-6-ethyloxane-3,4,5-triol
SMILESCCC1OC(OC2C(O)C(CC)OC(CC)C2O)C(O)C(O)C1O
InChIInChI=1S/C16H30O8/c1-4-7-10(17)13(20)14(21)16(23-7)24-15-11(18)8(5-2)22-9(6-3)12(15)19/h7-21H,4-6H2,1-3H3
InChIKeyVRXQSWMIEJIJNM-UHFFFAOYSA-N
XLogP-1.10
TPSA128.84 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 5-1.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-ethyl-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 70834436
(2R,3R,4S,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6S)-2-ethyl-6-[(2R,3R,4R,5S,6R)-2-ethyl-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 163711682
2-ethyl-6-methoxyoxane-3,4,5-triol
CID 21334747
(3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol
CID 58503038
(2R,4R,5R)-2-[(3S,4S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]oxy-6-ethyloxane-3,4,5-triol
CID 174153569
(2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 154452066
(2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91853111
2-[2-[2-[2-[2-[2-ethoxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 167206332
(2S,5S)-2-ethoxy-6-ethyloxane-3,4,5-triol
CID 167273619
(1S,2R,4R,5S)-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol
CID 162937469
6-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol
CID 54385408
(3R,4R,5S,6R)-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,5-triol
CID 156619561

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethyl-3,5-dihydroxyoxan-4-yl)oxy-6-ethyloxane-3,4,5-triol?
The IUPAC name of 2-(2,6-diethyl-3,5-dihydroxyoxan-4-yl)oxy-6-ethyloxane-3,4,5-triol (CID 21339731) is 2-(2,6-diethyl-3,5-dihydroxyoxan-4-yl)oxy-6-ethyloxane-3,4,5-triol.
What is the SMILES notation for 2-(2,6-diethyl-3,5-dihydroxyoxan-4-yl)oxy-6-ethyloxane-3,4,5-triol?
The canonical SMILES for 2-(2,6-diethyl-3,5-dihydroxyoxan-4-yl)oxy-6-ethyloxane-3,4,5-triol is CCC1OC(OC2C(O)C(CC)OC(CC)C2O)C(O)C(O)C1O.
What is the InChIKey of 2-(2,6-diethyl-3,5-dihydroxyoxan-4-yl)oxy-6-ethyloxane-3,4,5-triol?
The InChIKey is VRXQSWMIEJIJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O8/c1-4-7-10(17)13(20)14(21)16(23-7)24-15-11(18)8(5-2)22-9(6-3)12(15)19/h7-21H,4-6H2,1-3H3.
What are the key properties of 2-(2,6-diethyl-3,5-dihydroxyoxan-4-yl)oxy-6-ethyloxane-3,4,5-triol?
2-(2,6-diethyl-3,5-dihydroxyoxan-4-yl)oxy-6-ethyloxane-3,4,5-triol has a molecular weight of 350.41 g/mol, XLogP of -1.10, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethyl-3,5-dihydroxyoxan-4-yl)oxy-6-ethyloxane-3,4,5-triol is sourced from PubChem (CID 21339731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).