Purpurin 18

• CAS: 25465-77-4
• Catalog Number: ALC-FP-25465774
• Category: Heterocyclic Organic Compound; Featured Products
• Molecular Weight: 564.64 g/mol
• Molecular Formula: C33H32N4O5
• Synonyms: ChlorophyllImpurity3
• IUPAC Name: 3-[(22S,23S)-17-ethenyl-12-ethyl-13,18,22,27-tetramethyl-3,5-dioxo-4-oxa-8,24,25,26-tetrazahexacyclo[19.2.1.16,9.111,14.116,19.02,7]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoicacid
• Canonical SMILES: CCC1=C(C2=NC1=CC3=C(C4=C(N3)C(=C5[C@H]([C@@H](C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)O)C(=O)OC4=O)C)C
• InChI: InChI=1S/C33H32N4O5/c1-7-18-14(3)21-11-23-16(5)20(9-10-27(38)39)30(36-23)29-31-28(32(40)42-33(29)41)17(6)24(37-31)13-26-19(8-2)15(4)22(35-26)12-25(18)34-21/h7,11-13,16,20,36-37H,1,8-10H2,2-6H3,(H,38,39)/t16-,20-/m0/s1
• InChI Key: KUFHJWJISCAHNP-JXFKEZNVSA-N
• Boiling Point: 1046.1 ± 65.0 °C
• Density: 1.313 ± 0.06 g/ml
• Appearance: Solid
• Sample Lot No.: A24C515E3

Custom Q&A

What is the molecular formula of Purpurin 18?

The molecular formula of Purpurin 18 is C33H32N4O5.

When was Purpurin 18 created in PubChem?

Purpurin 18 was created in PubChem on August 8, 2005.

What is the molecular weight of Purpurin 18?

The molecular weight of Purpurin 18 is 564.6 g/mol.

What is the IUPAC Name of Purpurin 18?

The IUPAC Name of Purpurin 18 is 3-[(22S,23S)-17-ethenyl-12-ethyl-13,18,22,27-tetramethyl-3,5-dioxo-4-oxa-8,24,25,26-tetrazahexacyclo[19.2.1.1 6,9 .1 11,14 .1 16,19 .0 2,7 ]heptacosa-1,6,9(27),10,12,14(26),15,17,19(25),20-decaen-23-yl]propanoic acid.

What is the Canonical SMILES of Purpurin 18?

The Canonical SMILES of Purpurin 18 is CCC1=C(C2=NC1=CC3=C(C4=C(N3)C(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)O)C(=O)OC4=O)C)C.

What are some synonyms for Purpurin 18?

Some synonyms for Purpurin 18 are Purpurin-18, PP-18, and 25465-77-4.

What is the InChI Key of Purpurin 18?

The InChI Key of Purpurin 18 is KUFHJWJISCAHNP-JXFKEZNVSA-N.

How many hydrogen bond donor counts does Purpurin 18 have?

Purpurin 18 has 3 hydrogen bond donor counts.

What is the CAS number of Purpurin 18?

The CAS number of Purpurin 18 is 25465-77-4.

What is the topological polar surface area of Purpurin 18?

The topological polar surface area of Purpurin 18 is 138 Å2.