2-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol

C13H24O10 — CID 177339487

IUPAC2-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol
SMILESCOC1C(O)C(CO)OC(OC2C(CO)OCC(O)C2O)C1O
InChIInChI=1S/C13H24O10/c1-20-12-9(18)6(2-14)22-13(10(12)19)23-11-7(3-15)21-4-5(16)8(11)17/h5-19H,2-4H2,1H3
InChIKeyZAGXYMISKSBUQW-UHFFFAOYSA-N
MW340.33 g/mol
LogP-4.06
Rot. Bonds5

About 2-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol

2-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol (PubChem CID 177339487) has the molecular formula C13H24O10 and a molecular weight of 340.33 g/mol. Its IUPAC name is 2-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol.

Molecular Properties

Compound Name2-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol
PubChem CID177339487
Molecular FormulaC13H24O10
Molecular Weight340.33 g/mol
Exact Mass340.14
IUPAC Name2-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol
SMILESCOC1C(O)C(CO)OC(OC2C(CO)OCC(O)C2O)C1O
InChIInChI=1S/C13H24O10/c1-20-12-9(18)6(2-14)22-13(10(12)19)23-11-7(3-15)21-4-5(16)8(11)17/h5-19H,2-4H2,1H3
InChIKeyZAGXYMISKSBUQW-UHFFFAOYSA-N
XLogP-4.06
TPSA158.30 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.33
LogP ≤ 5-4.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Related Compounds

(2R,5S)-2-[(3S)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 147761063
(2R,5S)-2-[(3S,6R)-6-[(3S)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 147614951
(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
CID 56611045
(2R,5S)-2-[(3S,5S)-5-hydroxy-2-(hydroxymethyl)-4-methyloxan-3-yl]oxy-4-methoxy-6-(methoxymethyl)oxane-3,5-diol
CID 163470872
(2S,3S,5S)-2-[(3S,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 90346392
2-[2-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 77473377
(3R,4S,5R,6S)-6-[(2R,3R,4S,5S)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy-5-methoxyoxane-3,4-diol
CID 91857116
(3R,4S,5R)-3-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4S,5R)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxyoxane-2,4,5-triol
CID 91850248
(4R,5R,6R)-4-[(2R,3S,4R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol
CID 174061562
4-[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methyloxane-3,5-diol
CID 59916946
(3S,4R,6S)-5-amino-6-[(3S,4R,6R)-6-[(3S,4R)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;methanol
CID 160791218
(2R,3R,4S,5S)-2-[[(2S,3R,4R,5R)-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy-5-(2,3-dihydroxypropoxy)-4-hydroxyoxolan-2-yl]methoxy]oxane-3,4,5-triol
CID 171122513

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol?
The IUPAC name of 2-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol (CID 177339487) is 2-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol.
What is the SMILES notation for 2-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol?
The canonical SMILES for 2-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol is COC1C(O)C(CO)OC(OC2C(CO)OCC(O)C2O)C1O.
What is the InChIKey of 2-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol?
The InChIKey is ZAGXYMISKSBUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O10/c1-20-12-9(18)6(2-14)22-13(10(12)19)23-11-7(3-15)21-4-5(16)8(11)17/h5-19H,2-4H2,1H3.
What are the key properties of 2-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol?
2-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol has a molecular weight of 340.33 g/mol, XLogP of -4.06, 5 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol is sourced from PubChem (CID 177339487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).