4-amino-6-[2-[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 123272742

About 4-amino-6-[2-[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-[2-[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 123272742) has the molecular formula C23H48N4O8 and a molecular weight of 508.66 g/mol. Its IUPAC name is 4-amino-6-[2-[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-[2-[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: 123272742
• Molecular Formula: C23H48N4O8
• Molecular Weight: 508.66 g/mol
• Exact Mass: 508.35
• IUPAC Name: 4-amino-6-[2-[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(CC1CC(N)C(OC(C)C(N)CO)C(O)C1O)C1CC(N)C(OC(C)C(N)CO)C(O)C1O
• InChI: InChI=1S/C23H48N4O8/c1-9(13-6-15(25)23(21(33)19(13)31)35-11(3)17(27)8-29)4-12-5-14(24)22(20(32)18(12)30)34-10(2)16(26)7-28/h9-23,28-33H,4-8,24-27H2,1-3H3
• InChIKey: DDGOQURAATWWMC-UHFFFAOYSA-N
• XLogP: -3.66
• TPSA: 243.92 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	508.66
LogP ≤ 5	-3.66
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[2-[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-[2-[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 123272742) is 4-amino-6-[2-[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-[2-[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-[2-[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(CC1CC(N)C(OC(C)C(N)CO)C(O)C1O)C1CC(N)C(OC(C)C(N)CO)C(O)C1O.

What is the InChIKey of 4-amino-6-[2-[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 DDGOQURAATWWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N4O8/c1-9(13-6-15(25)23(21(33)19(13)31)35-11(3)17(27)8-29)4-12-5-14(24)22(20(32)18(12)30)34-10(2)16(26)7-28/h9-23,28-33H,4-8,24-27H2,1-3H3.

What are the key properties of 4-amino-6-[2-[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-[2-[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 -3.66, 11 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-6-[2-[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 123272742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).