| CAS Number | 150347-58-3 |
| Catalog Number | AG00APTH(AGN-PC-0Q4MDB) |
| Chemical Name | 5(6)-Carboxynaphthofluorescein N-succinimidyl ester |
| IUPAC Name | 5-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-2-(7-hydroxy-19-oxo-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(22),3(12),4(9),5,7,10,13,15,17,20-decaen-13-yl)benzoic acid |
| InChI | InChI=1S/C33H19NO9/c35-19-4-9-21-16(13-19)1-7-24-29(25-8-2-17-14-20(36)5-10-22(17)31(25)42-30(21)24)23-6-3-18(15-26(23)32(39)40)33(41)43-34-27(37)11-12-28(34)38/h1-10,13-15,35H,11-12H2,(H,39,40) |
| InChI Key | PIRMFVCZCOSFPX-UHFFFAOYSA-N |
| MDL Number | MFCD01862977 |
| Molecular Formula | C33H19NO9 |
| Molecular Weight | 573.5053 |
| SMILES | Oc1ccc2c(c1)ccc1c2oc2c(c1c1ccc(cc1C(=O)O)C(=O)ON1C(=O)CCC1=O)ccc1c2ccc(=O)c1 |
| Synonyms | SCHEMBL13180155,
AKOS015909889,
ZINC100053513,
150347-58-3,
5(6)-Carboxynaphthofluorescein N-Succinimidyl ester,
W-201339,
5-(6)-Carboxynaphthofluoroscein N-succinimidyl ester,
4-(11-Hydroxy-3-oxo-3H-dibenzo[c,h]xanthene-7-yl)isophthalic acid 1-succinimidyl ester,
2,5-Pyrrolidinedione,1-[[[3,11-dihydroxy-3'-oxospiro[7h-dibenzo[c,h]xanthene-7,1'(3'h)-isobenzofuran]-5'(or6')-yl]carbonyl]oxy]-(9ci),
PIRMFVCZCOSFPX-UHFFFAOYSA-N,
CID5229917,
CID 5229917,
I14-32773,
|
| Complexity | 1450 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 573.105981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 43 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 573.5g/mol |
| Monoisotopic Mass | 573.105981g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 148Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number