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

C22H46O16 — CID 159395311

IUPAC2-(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
SMILESC.C.COC1OC(CO)C(O)C(O)C1O.COC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C13H24O10.C7H14O6.2CH4/c1-4-6(14)8(16)11(19)13(22-4)21-3-5-7(15)9(17)10(18)12(20-2)23-5;1-12-7-6(11)5(10)4(9)3(2-8)13-7;;/h4-19H,3H2,1-2H3;3-11H,2H2,1H3;2*1H4
InChIKeyLMQDEAWKRNAHJN-UHFFFAOYSA-N
MW566.59 g/mol
LogP-5.01
Rot. Bonds6

About 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

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 (PubChem CID 159395311) has the molecular formula C22H46O16 and a molecular weight of 566.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID159395311
Molecular FormulaC22H46O16
Molecular Weight566.59 g/mol
Exact Mass566.28
IUPAC Name2-(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
SMILESC.C.COC1OC(CO)C(O)C(O)C1O.COC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C13H24O10.C7H14O6.2CH4/c1-4-6(14)8(16)11(19)13(22-4)21-3-5-7(15)9(17)10(18)12(20-2)23-5;1-12-7-6(11)5(10)4(9)3(2-8)13-7;;/h4-19H,3H2,1-2H3;3-11H,2H2,1H3;2*1H4
InChIKeyLMQDEAWKRNAHJN-UHFFFAOYSA-N
XLogP-5.01
TPSA257.68 Ų
H-Bond Donors10
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500566.59
LogP ≤ 5-5.01
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

(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,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,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
(2R,3S,4S,5R,6R)-2-[[(2R,3S,4R,5R,6S)-3,4-dihydroxy-6-methoxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
CID 162940353
(2R,3S,4R,5S,6S)-2-[[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6S)-6-[(2R,3S,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-methoxyoxan-4-yl]oxy-3,4-dihydroxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
CID 101436561
(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R)-3,4,6-trihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 54429868
(2R,3R,5R)-2-[[(3R,5R,6S)-3,4-dihydroxy-5,6-dimethyloxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 58183858
(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
(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
(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-5-(dimethylamino)-2-(hydroxymethyl)-6-methoxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
CID 25136583

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.COC1OC(CO)C(O)C(O)C1O.COC1OC(COC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O.
What is the InChIKey of 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?
The InChIKey is LMQDEAWKRNAHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O10.C7H14O6.2CH4/c1-4-6(14)8(16)11(19)13(22-4)21-3-5-7(15)9(17)10(18)12(20-2)23-5;1-12-7-6(11)5(10)4(9)3(2-8)13-7;;/h4-19H,3H2,1-2H3;3-11H,2H2,1H3;2*1H4.
What are the key properties of 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?
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 has a molecular weight of 566.59 g/mol, XLogP of -5.01, 6 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159395311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).