2-(2,5-diethyl-3,4-dihydroxyoxolan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-3,4-diol

C15H28O8 — CID 70920412

IUPAC2-(2,5-diethyl-3,4-dihydroxyoxolan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-3,4-diol
SMILESCCC1OC(CC)(OC2OC(CO)C(C)C(O)C2O)C(O)C1O
InChIInChI=1S/C15H28O8/c1-4-8-11(18)13(20)15(5-2,22-8)23-14-12(19)10(17)7(3)9(6-16)21-14/h7-14,16-20H,4-6H2,1-3H3
InChIKeySCOVJWLKHJGNAR-UHFFFAOYSA-N
MW336.38 g/mol
LogP-1.28
Rot. Bonds5

About 2-(2,5-diethyl-3,4-dihydroxyoxolan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-3,4-diol

2-(2,5-diethyl-3,4-dihydroxyoxolan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-3,4-diol (PubChem CID 70920412) has the molecular formula C15H28O8 and a molecular weight of 336.38 g/mol. Its IUPAC name is 2-(2,5-diethyl-3,4-dihydroxyoxolan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-3,4-diol.

Molecular Properties

Compound Name2-(2,5-diethyl-3,4-dihydroxyoxolan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-3,4-diol
PubChem CID70920412
Molecular FormulaC15H28O8
Molecular Weight336.38 g/mol
Exact Mass336.18
IUPAC Name2-(2,5-diethyl-3,4-dihydroxyoxolan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-3,4-diol
SMILESCCC1OC(CC)(OC2OC(CO)C(C)C(O)C2O)C(O)C1O
InChIInChI=1S/C15H28O8/c1-4-8-11(18)13(20)15(5-2,22-8)23-14-12(19)10(17)7(3)9(6-16)21-14/h7-14,16-20H,4-6H2,1-3H3
InChIKeySCOVJWLKHJGNAR-UHFFFAOYSA-N
XLogP-1.28
TPSA128.84 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 5-1.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,4S,5S)-2-[(2S,3R,5R)-2-[[(2R,3R,5R)-2-ethyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 170533430
2-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 170923599
(3R,4S,5R,6R)-2-[(2S,3S,4S,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 6326101
(3S,4R,5R,6S)-2-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 156614239
(2R,3S,4S,5S,6S)-2-[(2S,3R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 94011386
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 173264286
(2R,4S,5S)-2-[(2S,3R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-methyloxane-3,4,5-triol
CID 71024599
(2S,3R,4R,5R,6R)-5-chloro-2-[(2S,3S,4S,5R)-2-(chloromethyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
CID 57231876
(2S,4R,5R)-2-[(2R,3R,5R)-2,5-bis(chloromethyl)-3,4-dihydroxyoxolan-2-yl]oxy-5-chloro-6-ethyloxane-3,4-diol
CID 59809170
(2S,3S,4S,5R,6S)-6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxane-2,3,4,5-tetrol
CID 163199414
(2R,3R,4S,5S,6R)-2-[(2R,3S,4S,5R)-2-(chloromethyl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 20841988
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;ethane-1,2-diol
CID 69428885

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diethyl-3,4-dihydroxyoxolan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-3,4-diol?
The IUPAC name of 2-(2,5-diethyl-3,4-dihydroxyoxolan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-3,4-diol (CID 70920412) is 2-(2,5-diethyl-3,4-dihydroxyoxolan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-3,4-diol.
What is the SMILES notation for 2-(2,5-diethyl-3,4-dihydroxyoxolan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-3,4-diol?
The canonical SMILES for 2-(2,5-diethyl-3,4-dihydroxyoxolan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-3,4-diol is CCC1OC(CC)(OC2OC(CO)C(C)C(O)C2O)C(O)C1O.
What is the InChIKey of 2-(2,5-diethyl-3,4-dihydroxyoxolan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-3,4-diol?
The InChIKey is SCOVJWLKHJGNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O8/c1-4-8-11(18)13(20)15(5-2,22-8)23-14-12(19)10(17)7(3)9(6-16)21-14/h7-14,16-20H,4-6H2,1-3H3.
What are the key properties of 2-(2,5-diethyl-3,4-dihydroxyoxolan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-3,4-diol?
2-(2,5-diethyl-3,4-dihydroxyoxolan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-3,4-diol has a molecular weight of 336.38 g/mol, XLogP of -1.28, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diethyl-3,4-dihydroxyoxolan-2-yl)oxy-6-(hydroxymethyl)-5-methyloxane-3,4-diol is sourced from PubChem (CID 70920412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).