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

C12H26Cl2N2O9 — CID 74338136

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

5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;dihydrochloride (PubChem CID 74338136) has the molecular formula C12H26Cl2N2O9 and a molecular weight of 413.25 g/mol. Its IUPAC name is 5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;dihydrochloride.

Molecular Properties

• Compound Name: 5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;dihydrochloride
• PubChem CID: 74338136
• Molecular Formula: C12H26Cl2N2O9
• Molecular Weight: 413.25 g/mol
• Exact Mass: 412.10
• IUPAC Name: 5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;dihydrochloride
• SMILES: Cl.Cl.NC1C(OC2C(CO)OC(O)C(N)C2O)OC(CO)C(O)C1O
• InChI: InChI=1S/C12H24N2O9.2ClH/c13-5-9(19)10(4(2-16)21-11(5)20)23-12-6(14)8(18)7(17)3(1-15)22-12;;/h3-12,15-20H,1-2,13-14H2;2*1H
• InChIKey: QBSWPIQMUDKRHR-UHFFFAOYSA-N
• XLogP: -4.62
• TPSA: 201.11 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	413.25
LogP ≤ 5	-4.62
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;dihydrochloride?

The IUPAC name of 5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;dihydrochloride (CID 74338136) is 5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;dihydrochloride.

What is the SMILES notation for 5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;dihydrochloride?

The canonical SMILES for 5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;dihydrochloride is Cl.Cl.NC1C(OC2C(CO)OC(O)C(N)C2O)OC(CO)C(O)C1O.

What is the InChIKey of 5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;dihydrochloride?

The InChIKey is QBSWPIQMUDKRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O9.2ClH/c13-5-9(19)10(4(2-16)21-11(5)20)23-12-6(14)8(18)7(17)3(1-15)22-12;;/h3-12,15-20H,1-2,13-14H2;2*1H.

What are the key properties of 5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;dihydrochloride?

5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;dihydrochloride has a molecular weight of 413.25 g/mol, XLogP of -4.62, 4 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-6-[5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol;dihydrochloride is sourced from PubChem (CID 74338136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).