| CAS Number | 99792-50-4 |
| Catalog Number | AG00VQOF(AGN-PC-0W9VEB) |
| Chemical Name | Chlorophenol red β-D-galactopyranoside sodium salt |
| IUPAC Name | sodium;2-[(Z)-(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)-[3-chloro-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]benzenesulfonate |
| InChI | InChI=1S/C25H22Cl2O10S.Na/c26-15-9-12(5-7-17(15)29)21(14-3-1-2-4-20(14)38(33,34)35)13-6-8-18(16(27)10-13)36-25-24(32)23(31)22(30)19(11-28)37-25;/h1-10,19,22-25,28,30-32H,11H2,(H,33,34,35);/q;+1/p-1/b21-12-;/t19-,22+,23+,24-,25-;/m1./s1 |
| InChI Key | ZNPHUXRLBORSKC-FXMGFCRPSA-M |
| MDL Number | MFCD00152202 |
| Molecular Formula | C25H22Cl2NaO10S |
| Molecular Weight | 608.3969 |
| SMILES | OCC1OC(Oc2ccc(cc2Cl)/C(=C2/C=CC(=O)C(=C2)Cl)/c2ccccc2S(=O)(=O)[O-])C(C(C1O)O)O.[Na+] |
| Synonyms | 99792-50-4,
Chlorophenol red beta-D-galactopyranoside sodium salt,
Chlorophenol red-beta-D-galactopyranoside sodium salt,
C25H21Cl2NaO10S,
MFCD00152202,
W0524,
Chlorophenol red-b-D-galactopyranoside sodium salt,
CHLOROPHENOLRED-BETA-D-GALACTOPYRANOSIDE,SODIUMSALT,
|
| Complexity | 1090 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 606.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 39 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 607.383g/mol |
| Monoisotopic Mass | 606.013g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 182A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number