2-[[6-(fluoromethyl)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-6-methoxyoxane-3,4,5-triol

C13H23FO10 — CID 14018061

IUPAC2-[[6-(fluoromethyl)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-6-methoxyoxane-3,4,5-triol
SMILESCOC1OC(COC2OC(CF)C(O)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C13H23FO10/c1-21-12-10(19)9(18)7(16)5(24-12)3-22-13-11(20)8(17)6(15)4(2-14)23-13/h4-13,15-20H,2-3H2,1H3
InChIKeyIMSOZKIKHJMPAW-UHFFFAOYSA-N
MW358.32 g/mol
LogP-3.77
Rot. Bonds5

About 2-[[6-(fluoromethyl)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-6-methoxyoxane-3,4,5-triol

2-[[6-(fluoromethyl)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-6-methoxyoxane-3,4,5-triol (PubChem CID 14018061) has the molecular formula C13H23FO10 and a molecular weight of 358.32 g/mol. Its IUPAC name is 2-[[6-(fluoromethyl)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-6-methoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name2-[[6-(fluoromethyl)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-6-methoxyoxane-3,4,5-triol
PubChem CID14018061
Molecular FormulaC13H23FO10
Molecular Weight358.32 g/mol
Exact Mass358.13
IUPAC Name2-[[6-(fluoromethyl)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-6-methoxyoxane-3,4,5-triol
SMILESCOC1OC(COC2OC(CF)C(O)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C13H23FO10/c1-21-12-10(19)9(18)7(16)5(24-12)3-22-13-11(20)8(17)6(15)4(2-14)23-13/h4-13,15-20H,2-3H2,1H3
InChIKeyIMSOZKIKHJMPAW-UHFFFAOYSA-N
XLogP-3.77
TPSA158.30 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.32
LogP ≤ 5-3.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 2-[[6-(fluoromethyl)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-6-methoxyoxane-3,4,5-triol with MolForge

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Related Compounds

(2S,3S,4S,5S)-2-((18F)fluoromethyl)-6-methoxyoxane-3,4,5-triol
CID 15949247
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 101094442
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 10926361
(2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 162937440
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
CID 101155404
(2R,3S,4R,5S,6R,7S)-2-(hydroxymethyl)-7-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxepane-3,4,5,6-tetrol
CID 25194280
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-2-carbaldehyde
CID 126705387
(2R)-2-methoxy-6-(methoxymethyl)oxane-3,4,5-triol
CID 58069229
2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;methane;2-methyl-6-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methoxy]oxane-3,4,5-triol
CID 159395311
(2R,4S,5S)-2-[[(3R,4S,6R)-6-[(2S,4S,5R)-2-[(2R,4S,5R)-2-[(3R,4S)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-3,5-dihydroxy-6-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-4-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89270931
(2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S,6S)-3,5-dihydroxy-6-methoxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 5288759
2-[3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;2-[4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;2-[[3,5-dihydroxy-6-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol;2-(hydroxymethyl)-6-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methoxy]oxane-3,4,5-triol
CID 158624032

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(fluoromethyl)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-6-methoxyoxane-3,4,5-triol?
The IUPAC name of 2-[[6-(fluoromethyl)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-6-methoxyoxane-3,4,5-triol (CID 14018061) is 2-[[6-(fluoromethyl)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-6-methoxyoxane-3,4,5-triol.
What is the SMILES notation for 2-[[6-(fluoromethyl)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-6-methoxyoxane-3,4,5-triol?
The canonical SMILES for 2-[[6-(fluoromethyl)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-6-methoxyoxane-3,4,5-triol is COC1OC(COC2OC(CF)C(O)C(O)C2O)C(O)C(O)C1O.
What is the InChIKey of 2-[[6-(fluoromethyl)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-6-methoxyoxane-3,4,5-triol?
The InChIKey is IMSOZKIKHJMPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FO10/c1-21-12-10(19)9(18)7(16)5(24-12)3-22-13-11(20)8(17)6(15)4(2-14)23-13/h4-13,15-20H,2-3H2,1H3.
What are the key properties of 2-[[6-(fluoromethyl)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-6-methoxyoxane-3,4,5-triol?
2-[[6-(fluoromethyl)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-6-methoxyoxane-3,4,5-triol has a molecular weight of 358.32 g/mol, XLogP of -3.77, 5 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(fluoromethyl)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-6-methoxyoxane-3,4,5-triol is sourced from PubChem (CID 14018061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).