4-amino-6-[3-[5-amino-4-(3-amino-4-hydroxybutan-2-yl)oxy-2,3-dihydroxycyclohexyl]propyl]-3-(3-amino-4-hydroxybutan-2-yl)oxycyclohexane-1,2-diol

C23H48N4O8 — CID 58265464

About 4-amino-6-[3-[5-amino-4-(3-amino-4-hydroxybutan-2-yl)oxy-2,3-dihydroxycyclohexyl]propyl]-3-(3-amino-4-hydroxybutan-2-yl)oxycyclohexane-1,2-diol

4-amino-6-[3-[5-amino-4-(3-amino-4-hydroxybutan-2-yl)oxy-2,3-dihydroxycyclohexyl]propyl]-3-(3-amino-4-hydroxybutan-2-yl)oxycyclohexane-1,2-diol (PubChem CID 58265464) has the molecular formula C23H48N4O8 and a molecular weight of 508.66 g/mol. Its IUPAC name is 4-amino-6-[3-[5-amino-4-(3-amino-4-hydroxybutan-2-yl)oxy-2,3-dihydroxycyclohexyl]propyl]-3-(3-amino-4-hydroxybutan-2-yl)oxycyclohexane-1,2-diol.

Molecular Properties

• Compound Name: 4-amino-6-[3-[5-amino-4-(3-amino-4-hydroxybutan-2-yl)oxy-2,3-dihydroxycyclohexyl]propyl]-3-(3-amino-4-hydroxybutan-2-yl)oxycyclohexane-1,2-diol
• PubChem CID: 58265464
• Molecular Formula: C23H48N4O8
• Molecular Weight: 508.66 g/mol
• Exact Mass: 508.35
• IUPAC Name: 4-amino-6-[3-[5-amino-4-(3-amino-4-hydroxybutan-2-yl)oxy-2,3-dihydroxycyclohexyl]propyl]-3-(3-amino-4-hydroxybutan-2-yl)oxycyclohexane-1,2-diol
• SMILES: CC(OC1C(N)CC(CCCC2CC(N)C(OC(C)C(N)CO)C(O)C2O)C(O)C1O)C(N)CO
• InChI: InChI=1S/C23H48N4O8/c1-10(16(26)8-28)34-22-14(24)6-12(18(30)20(22)32)4-3-5-13-7-15(25)23(21(33)19(13)31)35-11(2)17(27)9-29/h10-23,28-33H,3-9,24-27H2,1-2H3
• InChIKey: JANGGBFYPWSRLW-UHFFFAOYSA-N
• XLogP: -3.52
• TPSA: 243.92 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	508.66
LogP ≤ 5	-3.52
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[3-[5-amino-4-(3-amino-4-hydroxybutan-2-yl)oxy-2,3-dihydroxycyclohexyl]propyl]-3-(3-amino-4-hydroxybutan-2-yl)oxycyclohexane-1,2-diol?

The IUPAC name of 4-amino-6-[3-[5-amino-4-(3-amino-4-hydroxybutan-2-yl)oxy-2,3-dihydroxycyclohexyl]propyl]-3-(3-amino-4-hydroxybutan-2-yl)oxycyclohexane-1,2-diol (CID 58265464) is 4-amino-6-[3-[5-amino-4-(3-amino-4-hydroxybutan-2-yl)oxy-2,3-dihydroxycyclohexyl]propyl]-3-(3-amino-4-hydroxybutan-2-yl)oxycyclohexane-1,2-diol.

What is the SMILES notation for 4-amino-6-[3-[5-amino-4-(3-amino-4-hydroxybutan-2-yl)oxy-2,3-dihydroxycyclohexyl]propyl]-3-(3-amino-4-hydroxybutan-2-yl)oxycyclohexane-1,2-diol?

The canonical SMILES for 4-amino-6-[3-[5-amino-4-(3-amino-4-hydroxybutan-2-yl)oxy-2,3-dihydroxycyclohexyl]propyl]-3-(3-amino-4-hydroxybutan-2-yl)oxycyclohexane-1,2-diol is CC(OC1C(N)CC(CCCC2CC(N)C(OC(C)C(N)CO)C(O)C2O)C(O)C1O)C(N)CO.

What is the InChIKey of 4-amino-6-[3-[5-amino-4-(3-amino-4-hydroxybutan-2-yl)oxy-2,3-dihydroxycyclohexyl]propyl]-3-(3-amino-4-hydroxybutan-2-yl)oxycyclohexane-1,2-diol?

The InChIKey is JANGGBFYPWSRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N4O8/c1-10(16(26)8-28)34-22-14(24)6-12(18(30)20(22)32)4-3-5-13-7-15(25)23(21(33)19(13)31)35-11(2)17(27)9-29/h10-23,28-33H,3-9,24-27H2,1-2H3.

What are the key properties of 4-amino-6-[3-[5-amino-4-(3-amino-4-hydroxybutan-2-yl)oxy-2,3-dihydroxycyclohexyl]propyl]-3-(3-amino-4-hydroxybutan-2-yl)oxycyclohexane-1,2-diol?

4-amino-6-[3-[5-amino-4-(3-amino-4-hydroxybutan-2-yl)oxy-2,3-dihydroxycyclohexyl]propyl]-3-(3-amino-4-hydroxybutan-2-yl)oxycyclohexane-1,2-diol has a molecular weight of 508.66 g/mol, XLogP of -3.52, 12 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-6-[3-[5-amino-4-(3-amino-4-hydroxybutan-2-yl)oxy-2,3-dihydroxycyclohexyl]propyl]-3-(3-amino-4-hydroxybutan-2-yl)oxycyclohexane-1,2-diol is sourced from PubChem (CID 58265464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).