Sulfo-Cy5-Tetrazine

Catalog Number

ACM1801695577-1

CAS

1801695-57-7

Synonyms

Cy5tetrazine

IUPAC Name

2-[(1E,3E,5E)-5-[3,3-dimethyl-1-[6-oxo-6-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]hexyl]-5-sulfoindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-sulfonate

Molecular Weight

920.1

Molecular Formula

C43H49N7O10S3

Canonical SMILES

CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1/C=C/C=C/C=C/3\C(C4=C(N3CCCCCC(=O)NCC5=CC=C(C=C5)C6=NN=CN=N6)C=CC(=C4)S(=O)(=O)O)(C)C)CCCS(=O)(=O)O)C

InChI

InChI=1S/C43H49N7O10S3/c1-42(2)34-26-32(62(55,56)57)19-21-36(34)49(23-10-6-9-14-40(51)44-28-30-15-17-31(18-16-30)41-47-45-29-46-48-41)38(42)12-7-5-8-13-39-43(3,4)35-27-33(63(58,59)60)20-22-37(35)50(39)24-11-25-61(52,53)54/h5,7-8,12-13,15-22,26-27,29H,6,9-11,14,23-25,28H2,1-4H3,(H3-,44,51,52,53,54,55,56,57,58,59,60)

InChI Key

TYHSHKVHPUEYMG-UHFFFAOYSA-N

Purity

0.9

Storage

-20 ºC

• Catalog Number: ACM1801695577-1
• CAS: 1801695-57-7
• Synonyms: Cy5tetrazine
• IUPAC Name: 2-[(1E,3E,5E)-5-[3,3-dimethyl-1-[6-oxo-6-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]hexyl]-5-sulfoindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-sulfonate
• Molecular Weight: 920.1
• Molecular Formula: C43H49N7O10S3
• Canonical SMILES: CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1/C=C/C=C/C=C/3\C(C4=C(N3CCCCCC(=O)NCC5=CC=C(C=C5)C6=NN=CN=N6)C=CC(=C4)S(=O)(=O)O)(C)C)CCCS(=O)(=O)O)C
• InChI: InChI=1S/C43H49N7O10S3/c1-42(2)34-26-32(62(55,56)57)19-21-36(34)49(23-10-6-9-14-40(51)44-28-30-15-17-31(18-16-30)41-47-45-29-46-48-41)38(42)12-7-5-8-13-39-43(3,4)35-27-33(63(58,59)60)20-22-37(35)50(39)24-11-25-61(52,53)54/h5,7-8,12-13,15-22,26-27,29H,6,9-11,14,23-25,28H2,1-4H3,(H3-,44,51,52,53,54,55,56,57,58,59,60)
• InChI Key: TYHSHKVHPUEYMG-UHFFFAOYSA-N
• Purity: 0.9
• Storage: -20 ºC