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

C14H24O8 — CID 11278640

IUPAC2-(hydroxymethyl)-6-[(6-hydroxy-2,3,5-trimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]oxane-3,4,5-triol
SMILESCC1=C(OC2OC(CO)C(O)C(O)C2O)C(C)C(C)OC1O
InChIInChI=1S/C14H24O8/c1-5-7(3)20-13(19)6(2)12(5)22-14-11(18)10(17)9(16)8(4-15)21-14/h5,7-11,13-19H,4H2,1-3H3
InChIKeyPFDRWTWDENLUIG-UHFFFAOYSA-N
MW320.34 g/mol
LogP-1.55
Rot. Bonds3

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

2-(hydroxymethyl)-6-[(6-hydroxy-2,3,5-trimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]oxane-3,4,5-triol (PubChem CID 11278640) has the molecular formula C14H24O8 and a molecular weight of 320.34 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-[(6-hydroxy-2,3,5-trimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-[(6-hydroxy-2,3,5-trimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]oxane-3,4,5-triol
PubChem CID11278640
Molecular FormulaC14H24O8
Molecular Weight320.34 g/mol
Exact Mass320.15
IUPAC Name2-(hydroxymethyl)-6-[(6-hydroxy-2,3,5-trimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]oxane-3,4,5-triol
SMILESCC1=C(OC2OC(CO)C(O)C(O)C2O)C(C)C(C)OC1O
InChIInChI=1S/C14H24O8/c1-5-7(3)20-13(19)6(2)12(5)22-14-11(18)10(17)9(16)8(4-15)21-14/h5,7-11,13-19H,4H2,1-3H3
InChIKeyPFDRWTWDENLUIG-UHFFFAOYSA-N
XLogP-1.55
TPSA128.84 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 5-1.55
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-[(2-ethyl-6-hydroxy-3,5-dimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11221307
(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
(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
(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,3S,4S,5S,6S)-2-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 123922812
2-(hydroxymethyl)-6-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol;methane
CID 159395031
(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759
(6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89221036
(2R,3R,4S,5R,6R)-2-(hydroxy(113C)methyl)-6-methoxy(2,3-13C2)oxane-3,4,5-triol
CID 101247773

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-[(6-hydroxy-2,3,5-trimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]oxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-[(6-hydroxy-2,3,5-trimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]oxane-3,4,5-triol (CID 11278640) is 2-(hydroxymethyl)-6-[(6-hydroxy-2,3,5-trimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]oxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-[(6-hydroxy-2,3,5-trimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]oxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-[(6-hydroxy-2,3,5-trimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]oxane-3,4,5-triol is CC1=C(OC2OC(CO)C(O)C(O)C2O)C(C)C(C)OC1O.
What is the InChIKey of 2-(hydroxymethyl)-6-[(6-hydroxy-2,3,5-trimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]oxane-3,4,5-triol?
The InChIKey is PFDRWTWDENLUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O8/c1-5-7(3)20-13(19)6(2)12(5)22-14-11(18)10(17)9(16)8(4-15)21-14/h5,7-11,13-19H,4H2,1-3H3.
What are the key properties of 2-(hydroxymethyl)-6-[(6-hydroxy-2,3,5-trimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]oxane-3,4,5-triol?
2-(hydroxymethyl)-6-[(6-hydroxy-2,3,5-trimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]oxane-3,4,5-triol has a molecular weight of 320.34 g/mol, XLogP of -1.55, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-[(6-hydroxy-2,3,5-trimethyl-3,6-dihydro-2H-pyran-4-yl)oxy]oxane-3,4,5-triol is sourced from PubChem (CID 11278640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).