| CAS Number | 145037-81-6 |
| Catalog Number | AG00AP3L(AGN-PC-0PWI5B) |
| Chemical Name | Rhod-2 AM |
| IUPAC Name | [9-[4-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-3-[2-[2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-5-methylphenoxy]ethoxy]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium;bromide |
| InChI | InChI=1S/C52H59N4O19.BrH/c1-32-10-16-42(55(24-48(61)71-28-67-33(2)57)25-49(62)72-29-68-34(3)58)46(20-32)65-18-19-66-47-21-37(11-17-43(47)56(26-50(63)73-30-69-35(4)59)27-51(64)74-31-70-36(5)60)52-40-14-12-38(53(6)7)22-44(40)75-45-23-39(54(8)9)13-15-41(45)52;/h10-17,20-23H,18-19,24-31H2,1-9H3;1H/q+1;/p-1 |
| InChI Key | RWXWZOWDWYQKBK-UHFFFAOYSA-M |
| MDL Number | MFCD00082575 |
| Molecular Formula | C52H59BrN4O19 |
| Molecular Weight | 1123.9443 |
| SMILES | O=C(CN(C1=C(OCCOC2=C(N(CC(OCOC(C)=O)=O)CC(OCOC(C)=O)=O)C=CC(C)=C2)C=C(C3=C4C=CC(N(C)C)=CC4=[O+]C5=CC(N(C)C)=CC=C35)C=C1)CC(OCOC(C)=O)=O)OCOC(C)=O.[Br-] |
| Synonyms | Rhod-2 AM,
RHOD 2/AM,
145037-81-6,
129787-64-0,
Rhod 2AM,
rhod-2 dye,
Rhod-2, AM,
CHEBI:52260,
MFCD00082575,
AKOS015909891,
FT-0717627,
J-005716,
I14-32775,
N-(9-(4-(Bis(2-(acetoxymethoxy)-2-oxoethyl)amino)-3-(2-(2-(bis(2-(acetoxymethoxy)-2-oxoethyl)amino)-5-methylphenoxy)ethoxy)phenyl)-6-(dimethylamino)-3H -xanthen-3-ylidene)-N-methylmethanaminium bromide,
N-[9-(4-{bis[2-(acetoxymethoxy)-2-oxoethyl]amino}-3-[2-(2-{bis[2-(acetoxymethoxy)-2-oxoethyl]amino}-5-methylphenoxy)ethoxy]phenyl)-6-(dimethylamino)-3H-xanthen-3-ylidene]-N-methylmethanaminium bromide,
Xanthylium Rhod 2,
|
| Complexity | 2060 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 1122.296g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 76 |
| Hydrogen Bond Acceptor Count | 23 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 1123.957g/mol |
| Monoisotopic Mass | 1122.296g/mol |
| Rotatable Bond Count | 33 |
| Topological Polar Surface Area | 251A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number