2-[(2-ethyl-6-hydroxy-3,5-dimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C15H26O8 — CID 11221307

IUPAC2-[(2-ethyl-6-hydroxy-3,5-dimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCC1OC(O)C(C)=C(OC2OC(CO)C(O)C(O)C2O)C1C
InChIInChI=1S/C15H26O8/c1-4-8-6(2)13(7(3)14(20)21-8)23-15-12(19)11(18)10(17)9(5-16)22-15/h6,8-12,14-20H,4-5H2,1-3H3
InChIKeyWCZDDVMDCKRQNQ-UHFFFAOYSA-N
MW334.37 g/mol
LogP-1.16
Rot. Bonds4

About 2-[(2-ethyl-6-hydroxy-3,5-dimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[(2-ethyl-6-hydroxy-3,5-dimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 11221307) has the molecular formula C15H26O8 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-[(2-ethyl-6-hydroxy-3,5-dimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-[(2-ethyl-6-hydroxy-3,5-dimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID11221307
Molecular FormulaC15H26O8
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC Name2-[(2-ethyl-6-hydroxy-3,5-dimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCC1OC(O)C(C)=C(OC2OC(CO)C(O)C(O)C2O)C1C
InChIInChI=1S/C15H26O8/c1-4-8-6(2)13(7(3)14(20)21-8)23-15-12(19)11(18)10(17)9(5-16)22-15/h6,8-12,14-20H,4-5H2,1-3H3
InChIKeyWCZDDVMDCKRQNQ-UHFFFAOYSA-N
XLogP-1.16
TPSA128.84 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 5-1.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

(2S,3R,4S,5S,6R)-2-[[(3R)-2-ethyl-6-hydroxy-3,5-dimethyl-3,6-dihydro-2H-pyran-4-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11175011
2-(hydroxymethyl)-6-[(6-hydroxy-2,3,5-trimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]oxane-3,4,5-triol
CID 11278640
(2R,3R)-2-ethyl-3,5-dimethyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydropyran-6-one
CID 162916874
(2S,3R)-2,3,5-trimethyl-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydropyran-6-one
CID 58877522
2,3,5-trimethyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydropyran-6-one
CID 58877528
2,5-dimethyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydropyran-6-one;2-ethyl-3,5-dimethyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydropyran-6-one;2,3,5-trimethyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydropyran-6-one
CID 160635332
cyclohexane-1,2,3,4,5,6-hexol;bis((2R,4S,5R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol);(2R,4S,5R)-2-ethyl-6-methoxyoxane-3,4,5-triol
CID 158329736
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(4-methylphenoxy)oxane-3,4,5-triol
CID 26917484
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
CID 91598575
(2R,4R,5R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89053522
(2R,3S,4R,5S,6R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 131178866
(2R,5R)-2-ethyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89021671

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-hydroxy-3,5-dimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of 2-[(2-ethyl-6-hydroxy-3,5-dimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 11221307) is 2-[(2-ethyl-6-hydroxy-3,5-dimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-[(2-ethyl-6-hydroxy-3,5-dimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for 2-[(2-ethyl-6-hydroxy-3,5-dimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol is CCC1OC(O)C(C)=C(OC2OC(CO)C(O)C(O)C2O)C1C.
What is the InChIKey of 2-[(2-ethyl-6-hydroxy-3,5-dimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is WCZDDVMDCKRQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O8/c1-4-8-6(2)13(7(3)14(20)21-8)23-15-12(19)11(18)10(17)9(5-16)22-15/h6,8-12,14-20H,4-5H2,1-3H3.
What are the key properties of 2-[(2-ethyl-6-hydroxy-3,5-dimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
2-[(2-ethyl-6-hydroxy-3,5-dimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 334.37 g/mol, XLogP of -1.16, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-hydroxy-3,5-dimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 11221307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).