2-[[6-(hydroxymethyl)-4,5-dimethyl-3-(methylamino)oxan-2-yl]oxymethyl]-4,6-dimethyl-5-(methylamino)oxan-3-ol

C18H36N2O5 — CID 59336849

IUPAC2-[[6-(hydroxymethyl)-4,5-dimethyl-3-(methylamino)oxan-2-yl]oxymethyl]-4,6-dimethyl-5-(methylamino)oxan-3-ol
SMILESCNC1C(C)OC(COC2OC(CO)C(C)C(C)C2NC)C(O)C1C
InChIInChI=1S/C18H36N2O5/c1-9-10(2)16(20-6)18(25-13(9)7-21)23-8-14-17(22)11(3)15(19-5)12(4)24-14/h9-22H,7-8H2,1-6H3
InChIKeyWOWSVDYNSDGGOL-UHFFFAOYSA-N
MW360.50 g/mol
LogP-0.05
Rot. Bonds6

About 2-[[6-(hydroxymethyl)-4,5-dimethyl-3-(methylamino)oxan-2-yl]oxymethyl]-4,6-dimethyl-5-(methylamino)oxan-3-ol

2-[[6-(hydroxymethyl)-4,5-dimethyl-3-(methylamino)oxan-2-yl]oxymethyl]-4,6-dimethyl-5-(methylamino)oxan-3-ol (PubChem CID 59336849) has the molecular formula C18H36N2O5 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-[[6-(hydroxymethyl)-4,5-dimethyl-3-(methylamino)oxan-2-yl]oxymethyl]-4,6-dimethyl-5-(methylamino)oxan-3-ol.

Molecular Properties

Compound Name2-[[6-(hydroxymethyl)-4,5-dimethyl-3-(methylamino)oxan-2-yl]oxymethyl]-4,6-dimethyl-5-(methylamino)oxan-3-ol
PubChem CID59336849
Molecular FormulaC18H36N2O5
Molecular Weight360.50 g/mol
Exact Mass360.26
IUPAC Name2-[[6-(hydroxymethyl)-4,5-dimethyl-3-(methylamino)oxan-2-yl]oxymethyl]-4,6-dimethyl-5-(methylamino)oxan-3-ol
SMILESCNC1C(C)OC(COC2OC(CO)C(C)C(C)C2NC)C(O)C1C
InChIInChI=1S/C18H36N2O5/c1-9-10(2)16(20-6)18(25-13(9)7-21)23-8-14-17(22)11(3)15(19-5)12(4)24-14/h9-22H,7-8H2,1-6H3
InChIKeyWOWSVDYNSDGGOL-UHFFFAOYSA-N
XLogP-0.05
TPSA92.21 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[6-(hydroxymethyl)-4,5-dimethyl-3-(methylamino)oxan-2-yl]oxymethyl]-4,6-dimethyl-5-(methylamino)oxan-3-ol with MolForge

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Related Compounds

N-[(2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-6-(2-tetradecylhexadecoxy)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 44433849
N-[(2S,3R,4R,5R,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-6-(2-tetradecylhexadecoxy)-4-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 70693455
N-[(2R,4R,5S)-5-[[(2R,4S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]methoxymethyl]-2-[[(3S,4R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
CID 453624
N-[(2R,4S,5S)-5-[[(2R,4R,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]-2-[[(3S,4S,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 21252321
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[1-(18-hydroxy-9-methyloctadecoxy)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yl]oxyoxan-3-yl]acetamide
CID 57382001
(2R,3S,4S,5R,6R)-2-[2-[1-(hydroxymethyl)propylamino]ethyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[2-[1-(hydroxymethyl)propylamino]ethyl]tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol
CID 10097927
(2R,3S,4S,5R,6R)-2-[(octylamino)methyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(octylamino)methyl]tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol
CID 10907874
(2R,3S,4S,5R,6R)-2-[(2-ethylhexylamino)methyl]-6-[(2R,3R,4S,5S,6R)-6-[(2-ethylhexylamino)methyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol
CID 10929804
(2R,3S,4S,5R,6R)-2-[(2-ethylhexylamino)methyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol
CID 10983294
(2R,3S,4S,5R,6R)-2-[(hexylamino)methyl]-6-[(2R,3R,4S,5S,6R)-6-[(hexylamino)methyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol
CID 11016658
(2R,3S,4S,5R,6R)-2-[2-[[(1S)-1-(hydroxymethyl)propyl]amino]ethyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[2-[[(1S)-1-(hydroxymethyl)propyl]amino]ethyl]tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol
CID 15954069
(2R,3S,4S,5R,6R)-2-[2-[[(1R)-1-(hydroxymethyl)propyl]amino]ethyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[2-[[(1R)-1-(hydroxymethyl)propyl]amino]ethyl]tetrahydropyran-2-yl]oxy-tetrahydropyran-3,4,5-triol
CID 15954070

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(hydroxymethyl)-4,5-dimethyl-3-(methylamino)oxan-2-yl]oxymethyl]-4,6-dimethyl-5-(methylamino)oxan-3-ol?
The IUPAC name of 2-[[6-(hydroxymethyl)-4,5-dimethyl-3-(methylamino)oxan-2-yl]oxymethyl]-4,6-dimethyl-5-(methylamino)oxan-3-ol (CID 59336849) is 2-[[6-(hydroxymethyl)-4,5-dimethyl-3-(methylamino)oxan-2-yl]oxymethyl]-4,6-dimethyl-5-(methylamino)oxan-3-ol.
What is the SMILES notation for 2-[[6-(hydroxymethyl)-4,5-dimethyl-3-(methylamino)oxan-2-yl]oxymethyl]-4,6-dimethyl-5-(methylamino)oxan-3-ol?
The canonical SMILES for 2-[[6-(hydroxymethyl)-4,5-dimethyl-3-(methylamino)oxan-2-yl]oxymethyl]-4,6-dimethyl-5-(methylamino)oxan-3-ol is CNC1C(C)OC(COC2OC(CO)C(C)C(C)C2NC)C(O)C1C.
What is the InChIKey of 2-[[6-(hydroxymethyl)-4,5-dimethyl-3-(methylamino)oxan-2-yl]oxymethyl]-4,6-dimethyl-5-(methylamino)oxan-3-ol?
The InChIKey is WOWSVDYNSDGGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O5/c1-9-10(2)16(20-6)18(25-13(9)7-21)23-8-14-17(22)11(3)15(19-5)12(4)24-14/h9-22H,7-8H2,1-6H3.
What are the key properties of 2-[[6-(hydroxymethyl)-4,5-dimethyl-3-(methylamino)oxan-2-yl]oxymethyl]-4,6-dimethyl-5-(methylamino)oxan-3-ol?
2-[[6-(hydroxymethyl)-4,5-dimethyl-3-(methylamino)oxan-2-yl]oxymethyl]-4,6-dimethyl-5-(methylamino)oxan-3-ol has a molecular weight of 360.50 g/mol, XLogP of -0.05, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(hydroxymethyl)-4,5-dimethyl-3-(methylamino)oxan-2-yl]oxymethyl]-4,6-dimethyl-5-(methylamino)oxan-3-ol is sourced from PubChem (CID 59336849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).