2-(hydroxymethyl)-6-[(3R)-5-methylideneoxolan-3-yl]oxyoxane-3,4,5-triol

C11H18O7 — CID 58003051

IUPAC2-(hydroxymethyl)-6-[(3R)-5-methylideneoxolan-3-yl]oxyoxane-3,4,5-triol
SMILESC=C1C[C@@H](OC2OC(CO)C(O)C(O)C2O)CO1
InChIInChI=1S/C11H18O7/c1-5-2-6(4-16-5)17-11-10(15)9(14)8(13)7(3-12)18-11/h6-15H,1-4H2/t6-,7?,8?,9?,10?,11?/m1/s1
InChIKeyLROSZKPRKXEHON-LCBXXEHNSA-N
MW262.26 g/mol
LogP-1.89
Rot. Bonds3

About 2-(hydroxymethyl)-6-[(3R)-5-methylideneoxolan-3-yl]oxyoxane-3,4,5-triol

2-(hydroxymethyl)-6-[(3R)-5-methylideneoxolan-3-yl]oxyoxane-3,4,5-triol (PubChem CID 58003051) has the molecular formula C11H18O7 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-[(3R)-5-methylideneoxolan-3-yl]oxyoxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-[(3R)-5-methylideneoxolan-3-yl]oxyoxane-3,4,5-triol
PubChem CID58003051
Molecular FormulaC11H18O7
Molecular Weight262.26 g/mol
Exact Mass262.11
IUPAC Name2-(hydroxymethyl)-6-[(3R)-5-methylideneoxolan-3-yl]oxyoxane-3,4,5-triol
SMILESC=C1C[C@@H](OC2OC(CO)C(O)C(O)C2O)CO1
InChIInChI=1S/C11H18O7/c1-5-2-6(4-16-5)17-11-10(15)9(14)8(13)7(3-12)18-11/h6-15H,1-4H2/t6-,7?,8?,9?,10?,11?/m1/s1
InChIKeyLROSZKPRKXEHON-LCBXXEHNSA-N
XLogP-1.89
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-1.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,4R,5R)-2-[(2S,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 118428901
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 162947044
(3R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 71034150
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 51579139
(2R,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 70386984
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 18652485
(2R,3S,6R)-2-(hydroxymethyl)-6-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 118137522
(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
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol;dihydrate
CID 53393673
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
CID 25235749
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(3S)-thian-3-yl]oxyoxane-3,4,5-triol
CID 162992486

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-[(3R)-5-methylideneoxolan-3-yl]oxyoxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-[(3R)-5-methylideneoxolan-3-yl]oxyoxane-3,4,5-triol (CID 58003051) is 2-(hydroxymethyl)-6-[(3R)-5-methylideneoxolan-3-yl]oxyoxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-[(3R)-5-methylideneoxolan-3-yl]oxyoxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-[(3R)-5-methylideneoxolan-3-yl]oxyoxane-3,4,5-triol is C=C1C[C@@H](OC2OC(CO)C(O)C(O)C2O)CO1.
What is the InChIKey of 2-(hydroxymethyl)-6-[(3R)-5-methylideneoxolan-3-yl]oxyoxane-3,4,5-triol?
The InChIKey is LROSZKPRKXEHON-LCBXXEHNSA-N. The full InChI is InChI=1S/C11H18O7/c1-5-2-6(4-16-5)17-11-10(15)9(14)8(13)7(3-12)18-11/h6-15H,1-4H2/t6-,7?,8?,9?,10?,11?/m1/s1.
What are the key properties of 2-(hydroxymethyl)-6-[(3R)-5-methylideneoxolan-3-yl]oxyoxane-3,4,5-triol?
2-(hydroxymethyl)-6-[(3R)-5-methylideneoxolan-3-yl]oxyoxane-3,4,5-triol has a molecular weight of 262.26 g/mol, XLogP of -1.89, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-[(3R)-5-methylideneoxolan-3-yl]oxyoxane-3,4,5-triol is sourced from PubChem (CID 58003051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).