| CAS Number | 501432-61-7 |
| Catalog Number | AG00DA3B(AGN-PC-0S6MYB) |
| Chemical Name | 6-Chloro-3-indoxyl-n-acetyl-beta-d-galactosaminide |
| IUPAC Name | N-[(2S,3R,4R,5R,6R)-2-[(6-chloro-1H-indol-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide |
| InChI | InChI=1S/C16H19ClN2O6/c1-7(21)19-13-15(23)14(22)12(6-20)25-16(13)24-11-5-18-10-4-8(17)2-3-9(10)11/h2-5,12-16,18,20,22-23H,6H2,1H3,(H,19,21)/t12-,13-,14+,15-,16-/m1/s1 |
| InChI Key | BPAUSWAPDXGBCS-IBEHDNSVSA-N |
| MDL Number | MFCD02683907 |
| Molecular Formula | C52H48Cl2P4Ru |
| Molecular Weight | 968.8086 |
| SMILES | [Cl-][Ru+2]12([P](C3=CC=CC=C3)(C4=CC=CC=C4)CC[P]1(C5=CC=CC=C5)C6=CC=CC=C6)([P](C7=CC=CC=C7)(C8=CC=CC=C8)CC[P]2(C9=CC=CC=C9)C%10=CC=CC=C%10)[Cl-] |
| Synonyms | 156117-44-1,
C16H19ClN2O6,
6-Chloro-3-indolyl 2-acetamido-2-deoxy-b-D-glucopyranoside,
SCHEMBL1399549,
ZINC44167999,
AKOS015910392,
501432-61-7,
W0482,
6-Chloro-3-indolyl N-acetyl-b-D-glucosaminide,
I14-40718,
6-Chloro-3-indolyl 2-acetamido-2-deoxy-beta-D-galactopyranoside,
6-Chloro-3-indoxyl-2-acetamido-2-decxy-beta-D-galactopyranoside,
N-((2S,3R,4R,5R,6R)-2-(6-chloro-1H-indol-3-yloxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)acetamide,
CID10193865,
CID 10193865,
6-Chloro-1H-indol-3-yl 2-(acetylamino)-2-deoxy-beta-D-galactopyranoside,
|
| Complexity | 484 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 370.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 370.786g/mol |
| Monoisotopic Mass | 370.093g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 124A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number