Kukoamine a

• CAS: 75288-96-9
• Catalog Number: ACM75288969
• Category: Other Products
• Molecular Weight: 530.7
• Molecular Formula: C₂₈H₄₂N₄O₆
• Synonyms: 1,14-Bis(dihydrocaffeoyl)spermidine
• InChI: InChI=1S/C28H42N4O6/c33-23-9-5-21(19-25(23)35)7-11-27(37)31-17-3-15-29-13-1-2-14-30-16-4-18-32-28(38)12-8-22-6-10-24(34)26(36)20-22/h5-6,9-10,19-20,29-30,33-36H,1-4,7-8,11-18H2,(H,31,37)(H,32,38)
• InChI Key: IOLDDENZPBFBHV-UHFFFAOYSA-N
• Density: 1.213±0.06 g/cm³ (20 ºC 760 Torr)
• Complexity: 601
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Exact Mass: 530.31043507
• Heavy Atom Count: 38
• Hydrogen Bond Acceptor Count: 8
• Hydrogen Bond Donor Count: 8
• Monoisotopic Mass: 530.31043507
• Physical State: Powder
• Rotatable Bond Count: 19
• Topological Polar Surface Area: 163 Ų

Custom Q&A

What is the molecular formula of Kukoamine A according to the reference?

The molecular formula of Kukoamine A is C28H42N4O6.

When was Kukoamine A created and modified according to the reference?

Kukoamine A was created on January 18, 2006, and modified on December 30, 2023.

What is the IUPAC Name of Kukoamine A?

The IUPAC Name of Kukoamine A is 3-(3,4-dihydroxyphenyl)-N-[3-[4-[3-[3-(3,4-dihydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide.

What is the molecular weight of Kukoamine A?

The molecular weight of Kukoamine A is 530.7 g/mol.

What is the Canonical SMILES of Kukoamine A?

The Canonical SMILES of Kukoamine A is C1=CC(=C(C=C1CCC(=O)NCCCNCCCCNCCCNC(=O)CCC2=CC(=C(C=C2)O)O)O)O.

What is the InChIKey of Kukoamine A?

The InChIKey of Kukoamine A is IOLDDENZPBFBHV-UHFFFAOYSA-N.

How many hydrogen bond donor counts does Kukoamine A have?

Kukoamine A has 8 hydrogen bond donor counts.

What is the XLogP3-AA value of Kukoamine A?

The XLogP3-AA value of Kukoamine A is 1.8.

How many rotatable bond counts does Kukoamine A have?

Kukoamine A has 19 rotatable bond counts.

What is the topological polar surface area of Kukoamine A?

The topological polar surface area of Kukoamine A is 163 Ų.