Name: Name:3,6,9,15-Tetraazabicyclo[9.3.1] pentadeca-1(15),11,13-triene-4-S-(4-isothiocyanatobenzyl)-3,6,9-triacetic acid
Brand: Angene
SKU: AG01FPC1
Rating: 90 (10 reviews)

3,6,9,15-Tetraazabicyclo[9.3.1] pentadeca-1(15),11,13-triene-4-S-(4-isothiocyanatobenzyl)-3,6,9-triacetic acid

CAS No.:

949147-44-8

Catalog Number:

AG01FPC1

Molecular Formula:

Molecular Weight:

Catalog Number:

AG01FPC1

Chemical Name:

3,6,9,15-Tetraazabicyclo[9.3.1] pentadeca-1(15),11,13-triene-4-S-(4-isothiocyanatobenzyl)-3,6,9-triacetic acid

CAS Number:

949147-44-8

IUPAC Name:

2-[(4S)-3,9-bis(carboxymethyl)-4-[(4-isothiocyanatophenyl)methyl]-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-6-yl]acetic acid

InChI:

InChI=1S/C25H29N5O6S/c31-23(32)14-28-8-9-29(15-24(33)34)13-22(10-18-4-6-19(7-5-18)26-17-37)30(16-25(35)36)12-21-3-1-2-20(11-28)27-21/h1-7,22H,8-16H2,(H,31,32)(H,33,34)(H,35,36)/t22-/m0/s1

InChI Key:

FSOBASOXWBKMSC-QFIPXVFZSA-N

UNII:

79XFT02E12

Complexity:

832

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

527.184g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

527.596g/mol

Monoisotopic Mass:

527.184g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

179A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-4.2