6-[4,6-diamino-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)-3-methyl-4-(methylamino)oxane-3,5-diol

C20H41N5O10 — CID 163053005

About 6-[4,6-diamino-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)-3-methyl-4-(methylamino)oxane-3,5-diol

6-[4,6-diamino-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)-3-methyl-4-(methylamino)oxane-3,5-diol (PubChem CID 163053005) has the molecular formula C20H41N5O10 and a molecular weight of 511.57 g/mol. Its IUPAC name is 6-[4,6-diamino-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)-3-methyl-4-(methylamino)oxane-3,5-diol.

Molecular Properties

• Compound Name: 6-[4,6-diamino-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)-3-methyl-4-(methylamino)oxane-3,5-diol
• PubChem CID: 163053005
• Molecular Formula: C20H41N5O10
• Molecular Weight: 511.57 g/mol
• Exact Mass: 511.29
• IUPAC Name: 6-[4,6-diamino-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)-3-methyl-4-(methylamino)oxane-3,5-diol
• SMILES: CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)OC(CO)C1(C)O
• InChI: InChI=1S/C20H41N5O10/c1-20(31)9(5-26)33-19(14(30)17(20)25-2)35-16-7(23)3-6(22)15(13(16)29)34-18-10(24)12(28)11(27)8(4-21)32-18/h6-19,25-31H,3-5,21-24H2,1-2H3
• InChIKey: FMIKYCWXAKSOEZ-UHFFFAOYSA-N
• XLogP: -6.67
• TPSA: 274.41 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	511.57
LogP ≤ 5	-6.67
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 6-[4,6-diamino-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)-3-methyl-4-(methylamino)oxane-3,5-diol?

The IUPAC name of 6-[4,6-diamino-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)-3-methyl-4-(methylamino)oxane-3,5-diol (CID 163053005) is 6-[4,6-diamino-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)-3-methyl-4-(methylamino)oxane-3,5-diol.

What is the SMILES notation for 6-[4,6-diamino-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)-3-methyl-4-(methylamino)oxane-3,5-diol?

The canonical SMILES for 6-[4,6-diamino-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)-3-methyl-4-(methylamino)oxane-3,5-diol is CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CN)C(O)C(O)C3N)C2O)OC(CO)C1(C)O.

What is the InChIKey of 6-[4,6-diamino-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)-3-methyl-4-(methylamino)oxane-3,5-diol?

The InChIKey is FMIKYCWXAKSOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N5O10/c1-20(31)9(5-26)33-19(14(30)17(20)25-2)35-16-7(23)3-6(22)15(13(16)29)34-18-10(24)12(28)11(27)8(4-21)32-18/h6-19,25-31H,3-5,21-24H2,1-2H3.

What are the key properties of 6-[4,6-diamino-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)-3-methyl-4-(methylamino)oxane-3,5-diol?

6-[4,6-diamino-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)-3-methyl-4-(methylamino)oxane-3,5-diol has a molecular weight of 511.57 g/mol, XLogP of -6.67, 7 rotatable bonds, 11 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4,6-diamino-3-[3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-2-(hydroxymethyl)-3-methyl-4-(methylamino)oxane-3,5-diol is sourced from PubChem (CID 163053005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).