Ethyl 6-[2-[(4-amino-5-methoxy-5-oxopentanoyl)amino]-3-[(2-methoxy-2-oxoethyl)amino]-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14,19-pentaenoate | CAS No. 71872-47-4

Ethyl 6-[2-[(4-amino-5-methoxy-5-oxopentanoyl)amino]-3-[(2-methoxy-2-oxoethyl)amino]-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14,19-pentaenoate

Basic Information

CAS Number

71872-47-4

Molecular Formula

C34H53N3O9S

Molecular Weight

679.86 g/mol

AD

Basic Physical Properties

S(CC(C(NCC(=O)OC)=O)NC(CCC(C(=O)OC)N)=O)C(C=CC=CC=CCC=CCCCC=C)C(CCCC(=O)OCC)O

InChI

1S/C34H53N3O9S/c1-5-7-8-9-10-11-12-13-14-15-16-17-20-29(28(38)19-18-21-31(40)46-6-2)47-25-27(33(42)36-24-32(41)44-3)37-30(39)23-22-26(35)34(43)45-4/h5,10-11,13-17,20,26-29,38H,1,6-9,12,18-19,21-25,35H2,2-4H3,(H,36,42)(H,37,39)

InChIKey

HNNZXGKURRYRCB-UHFFFAOYSA-N

LogP

3.2082000000000046

Topological Polar Surface Area

183.34999999999997 Ų

Hydrogen Bond Donor/Acceptor

5 / 12

Complexity

1080

Synonyms & References

English

  • Disperse Blue 295
  • C.I. DISPERSE BLUE 295 PRESS CAKE
  • C.I. Disperse Blue 295
  • Ethyl 6-[2-[(4-amino-5-methoxy-5-oxopentanoyl)amino]-3-[(2-methoxy-2-oxoethyl)amino]-3-oxopropyl]sul
  • Dispersol Blue C 3G

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