2-[[4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxymethyl]-6-methyl-5-(methylamino)oxane-3,4-diol

C16H32N2O7 — CID 59392579

IUPAC2-[[4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxymethyl]-6-methyl-5-(methylamino)oxane-3,4-diol
SMILESCNC1C(C)OC(COC2OC(CO)C(C)C(O)C2NC)C(O)C1O
InChIInChI=1S/C16H32N2O7/c1-7-9(5-19)25-16(12(18-4)13(7)20)23-6-10-14(21)15(22)11(17-3)8(2)24-10/h7-22H,5-6H2,1-4H3
InChIKeyLTQLCARROYTPIR-UHFFFAOYSA-N
MW364.44 g/mol
LogP-2.60
Rot. Bonds6

About 2-[[4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxymethyl]-6-methyl-5-(methylamino)oxane-3,4-diol

2-[[4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxymethyl]-6-methyl-5-(methylamino)oxane-3,4-diol (PubChem CID 59392579) has the molecular formula C16H32N2O7 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[[4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxymethyl]-6-methyl-5-(methylamino)oxane-3,4-diol.

Molecular Properties

Compound Name2-[[4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxymethyl]-6-methyl-5-(methylamino)oxane-3,4-diol
PubChem CID59392579
Molecular FormulaC16H32N2O7
Molecular Weight364.44 g/mol
Exact Mass364.22
IUPAC Name2-[[4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxymethyl]-6-methyl-5-(methylamino)oxane-3,4-diol
SMILESCNC1C(C)OC(COC2OC(CO)C(C)C(O)C2NC)C(O)C1O
InChIInChI=1S/C16H32N2O7/c1-7-9(5-19)25-16(12(18-4)13(7)20)23-6-10-14(21)15(22)11(17-3)8(2)24-10/h7-22H,5-6H2,1-4H3
InChIKeyLTQLCARROYTPIR-UHFFFAOYSA-N
XLogP-2.60
TPSA132.67 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.44
LogP ≤ 5-2.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxymethyl]-6-methyl-5-(methylamino)oxane-3,4-diol?
The IUPAC name of 2-[[4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxymethyl]-6-methyl-5-(methylamino)oxane-3,4-diol (CID 59392579) is 2-[[4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxymethyl]-6-methyl-5-(methylamino)oxane-3,4-diol.
What is the SMILES notation for 2-[[4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxymethyl]-6-methyl-5-(methylamino)oxane-3,4-diol?
The canonical SMILES for 2-[[4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxymethyl]-6-methyl-5-(methylamino)oxane-3,4-diol is CNC1C(C)OC(COC2OC(CO)C(C)C(O)C2NC)C(O)C1O.
What is the InChIKey of 2-[[4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxymethyl]-6-methyl-5-(methylamino)oxane-3,4-diol?
The InChIKey is LTQLCARROYTPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O7/c1-7-9(5-19)25-16(12(18-4)13(7)20)23-6-10-14(21)15(22)11(17-3)8(2)24-10/h7-22H,5-6H2,1-4H3.
What are the key properties of 2-[[4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxymethyl]-6-methyl-5-(methylamino)oxane-3,4-diol?
2-[[4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxymethyl]-6-methyl-5-(methylamino)oxane-3,4-diol has a molecular weight of 364.44 g/mol, XLogP of -2.60, 6 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-hydroxy-6-(hydroxymethyl)-5-methyl-3-(methylamino)oxan-2-yl]oxymethyl]-6-methyl-5-(methylamino)oxane-3,4-diol is sourced from PubChem (CID 59392579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).