| CAS Number | 460085-45-4 |
| Catalog Number | AG00DE0F(AGN-PC-0WAHQN) |
| Chemical Name | 4-Methylumbelliferyl 2-sulfamino-2-deoxy-α-D-Glucopyranoside (sodium salt) |
| IUPAC Name | sodium;N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]sulfamate |
| InChI | InChI=1S/C16H19NO10S.Na/c1-7-4-12(19)26-10-5-8(2-3-9(7)10)25-16-13(17-28(22,23)24)15(21)14(20)11(6-18)27-16;/h2-5,11,13-18,20-21H,6H2,1H3,(H,22,23,24);/q;+1/p-1/t11-,13-,14-,15-,16+;/m1./s1 |
| InChI Key | LMECUNAMBHBGFU-MYDYNYEJSA-M |
| MDL Number | MFCD02683374 |
| Molecular Formula | C16H18NNaO10S |
| Molecular Weight | 439.3696 |
| SMILES | OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](NS([O-])(=O)=O)[C@@H](OC2=CC=C(C(C)=CC(O3)=O)C3=C2)O1.[Na+] |
| Synonyms | 460085-45-4,
4-Methylumbelliferyl 2-deoxy-2-sulfamino-alpha-D-glucopyranoside sodium salt,
C16H18NO10S.Na,
4-Methylumbelliferyl 2-deoxy-2-sulfamino-a-D-glucopyranoside sodium salt,
4-Methylumbelliferyl 2-Sulfamino-2-deoxy-|A-D-glucopyranoside Sodium Salt,
SCHEMBL16401147,
4-Methylumbelliferyl 2-Sulfamino-2-deoxy-alpha-D-glucopyranoside Sodium Salt,
MFCD02683374,
AKOS030632344,
W0240,
W-202815,
7-[[2-Deoxy-2-(sulfoamino)-|A-D-glucopyranosyl]oxy]-4-methyl-2H-1-benzopyran-2-one Sodium Salt,
CID11316589,
CID 11316589,
4-Methylumbelliferyl 2-deoxy-2-sulfamino-|A-D-glucopyranoside sodium salt,
4-Methylumbelliferyl2-deoxy-2-sulfamino-a-D-glucopyranosidesodiumsalt,
180088-52-2,
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| Complexity | 726 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 439.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 439.367g/mol |
| Monoisotopic Mass | 439.055g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 183A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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