BDP 558/568 NHS ester

Catalog Number

ACM150173732-1

CAS

150173-73-2

IUPAC Name

(2,5-dioxopyrrolidin-1-yl)3-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)propanoate

Molecular Weight

443.2

Molecular Formula

C20H16BF2N3O4S

Canonical SMILES

[B-]1(N2C(=CC=C2CCC(=O)ON3C(=O)CCC3=O)C=C4[N+]1=C(C=C4)C5=CC=CS5)(F)F

InChI

InChI=1S/C20H16BF2N3O4S/c22-21(23)24-13(6-10-20(29)30-26-18(27)8-9-19(26)28)3-4-14(24)12-15-5-7-16(25(15)21)17-2-1-11-31-17/h1-5,7,11-12H,6,8-10H2

InChI Key

DPIQWSPHMYACPD-UHFFFAOYSA-N

Purity

98%

Storage

-20 °C in the dark

Excitation Maximum

561

• Catalog Number: ACM150173732-1
• CAS: 150173-73-2
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl)3-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)propanoate
• Molecular Weight: 443.2
• Molecular Formula: C20H16BF2N3O4S
• Canonical SMILES: [B-]1(N2C(=CC=C2CCC(=O)ON3C(=O)CCC3=O)C=C4[N+]1=C(C=C4)C5=CC=CS5)(F)F
• InChI: InChI=1S/C20H16BF2N3O4S/c22-21(23)24-13(6-10-20(29)30-26-18(27)8-9-19(26)28)3-4-14(24)12-15-5-7-16(25(15)21)17-2-1-11-31-17/h1-5,7,11-12H,6,8-10H2
• InChI Key: DPIQWSPHMYACPD-UHFFFAOYSA-N
• Purity: 98%
• Storage: -20 °C in the dark
• Excitation Maximum: 561