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

C14H28N2O9 — CID 123664064

IUPAC6-[4,6-dihydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol
SMILESCNC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2NC)C1O
InChIInChI=1S/C14H28N2O9/c1-15-7-11(21)12(6(4-18)23-13(7)22)25-14-8(16-2)10(20)9(19)5(3-17)24-14/h5-22H,3-4H2,1-2H3
InChIKeyZMDVMIKWUDHZLB-UHFFFAOYSA-N
MW368.38 g/mol
LogP-4.94
Rot. Bonds6

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

6-[4,6-dihydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol (PubChem CID 123664064) has the molecular formula C14H28N2O9 and a molecular weight of 368.38 g/mol. Its IUPAC name is 6-[4,6-dihydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol.

Molecular Properties

Compound Name6-[4,6-dihydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol
PubChem CID123664064
Molecular FormulaC14H28N2O9
Molecular Weight368.38 g/mol
Exact Mass368.18
IUPAC Name6-[4,6-dihydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol
SMILESCNC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2NC)C1O
InChIInChI=1S/C14H28N2O9/c1-15-7-11(21)12(6(4-18)23-13(7)22)25-14-8(16-2)10(20)9(19)5(3-17)24-14/h5-22H,3-4H2,1-2H3
InChIKeyZMDVMIKWUDHZLB-UHFFFAOYSA-N
XLogP-4.94
TPSA173.13 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500368.38
LogP ≤ 5-4.94
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 6-[4,6-dihydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol?
The IUPAC name of 6-[4,6-dihydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol (CID 123664064) is 6-[4,6-dihydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol.
What is the SMILES notation for 6-[4,6-dihydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol?
The canonical SMILES for 6-[4,6-dihydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol is CNC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2NC)C1O.
What is the InChIKey of 6-[4,6-dihydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol?
The InChIKey is ZMDVMIKWUDHZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O9/c1-15-7-11(21)12(6(4-18)23-13(7)22)25-14-8(16-2)10(20)9(19)5(3-17)24-14/h5-22H,3-4H2,1-2H3.
What are the key properties of 6-[4,6-dihydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol?
6-[4,6-dihydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol has a molecular weight of 368.38 g/mol, XLogP of -4.94, 6 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4,6-dihydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-2-(hydroxymethyl)-5-(methylamino)oxane-3,4-diol is sourced from PubChem (CID 123664064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).