6-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxane-3,4-diol

C12H22O7 — CID 163002140

IUPAC6-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxane-3,4-diol
SMILESCC1OC(OC2CC(O)C(O)C(C)O2)CC(O)C1O
InChIInChI=1S/C12H22O7/c1-5-11(15)7(13)3-9(17-5)19-10-4-8(14)12(16)6(2)18-10/h5-16H,3-4H2,1-2H3
InChIKeyWQSBGIYRUPQJLG-UHFFFAOYSA-N
MW278.30 g/mol
LogP-1.28
Rot. Bonds2

About 6-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxane-3,4-diol

6-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxane-3,4-diol (PubChem CID 163002140) has the molecular formula C12H22O7 and a molecular weight of 278.30 g/mol. Its IUPAC name is 6-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxane-3,4-diol.

Molecular Properties

Compound Name6-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxane-3,4-diol
PubChem CID163002140
Molecular FormulaC12H22O7
Molecular Weight278.30 g/mol
Exact Mass278.14
IUPAC Name6-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxane-3,4-diol
SMILESCC1OC(OC2CC(O)C(O)C(C)O2)CC(O)C1O
InChIInChI=1S/C12H22O7/c1-5-11(15)7(13)3-9(17-5)19-10-4-8(14)12(16)6(2)18-10/h5-16H,3-4H2,1-2H3
InChIKeyWQSBGIYRUPQJLG-UHFFFAOYSA-N
XLogP-1.28
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 5-1.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,3R,4S,6S)-6-methoxy-2-methyloxane-3,4-diol
CID 12775768
(2R,3S,4R,6R)-6-[(2R,3R,4R,6S)-3,6-dihydroxy-2-methyloxan-4-yl]oxy-2-methyloxane-3,4-diol
CID 91848517
(3S,6S)-6-[(3R,6S)-3-hydroxy-2,6-dimethyloxan-4-yl]oxy-2-methyloxane-3,4-diol
CID 70898410
[(4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl] hypofluorite
CID 67929975
6-ethoxy-2-methyloxane-3,4-diol
CID 20764116
(2R,3S,4R,6R)-6-ethoxy-2-methyloxane-3,4-diol
CID 11030343
6-(3-hydroxy-2-methyl-6-propan-2-yloxan-4-yl)oxy-2-methyloxane-3,4-diol
CID 162710756
(2S,4S,5S,6R)-6-methyloxane-2,4,5-triol
CID 6543736
(4S,5S,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol
CID 91853555
(2R,4R,5S,6R)-5-[(2S,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol
CID 156615582
(3R,6R)-6-[(2S)-2,3-dihydroxybutoxy]-2-methyloxane-3,4-diol
CID 70916039
[4-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-6-methoxy-2-methyloxan-3-yl] acetate
CID 20577436

Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxane-3,4-diol?
The IUPAC name of 6-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxane-3,4-diol (CID 163002140) is 6-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxane-3,4-diol.
What is the SMILES notation for 6-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxane-3,4-diol?
The canonical SMILES for 6-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxane-3,4-diol is CC1OC(OC2CC(O)C(O)C(C)O2)CC(O)C1O.
What is the InChIKey of 6-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxane-3,4-diol?
The InChIKey is WQSBGIYRUPQJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O7/c1-5-11(15)7(13)3-9(17-5)19-10-4-8(14)12(16)6(2)18-10/h5-16H,3-4H2,1-2H3.
What are the key properties of 6-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxane-3,4-diol?
6-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxane-3,4-diol has a molecular weight of 278.30 g/mol, XLogP of -1.28, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-2-methyloxane-3,4-diol is sourced from PubChem (CID 163002140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).