| CAS Number | 123228-39-7 |
| Catalog Number | AG009GI2(AGN-PC-0LLV27) |
| Chemical Name | Heparin disaccharide IV-H |
| IUPAC Name | 2-(5-amino-1,2,4-trihydroxy-6-oxohexan-3-yl)oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid |
| InChI | InChI=1S/C12H19NO10/c13-4(2-14)8(18)10(6(17)3-15)23-12-9(19)5(16)1-7(22-12)11(20)21/h1-2,4-6,8-10,12,15-19H,3,13H2,(H,20,21) |
| InChI Key | RSCSYLOUHOXZCJ-UHFFFAOYSA-N |
| Molecular Formula | C12H19NO10 |
| Molecular Weight | 337.2800 |
| SMILES | C1=C(OC(C(C1O)O)OC(C(CO)O)C(C(C=O)N)O)C(=O)O |
| Synonyms | Heparin disaccharide IV-H,
123228-39-7,
AC1NMS5O,
DTXSID00407853,
Heparin disaccharide IV-H, >=95%,
J-004900,
2-(5-amino-1,2,4-trihydroxy-6-oxohexan-3-yl)oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid,
CID5056205,
CID 5056205,
|A-| currencyUA-[1 inverted exclamation marku4]-GlcN,
|
| Complexity | 455 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 7 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.281g/mol |
| Monoisotopic Mass | 337.101g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 200A^2 |
| Undefined Atom Stereocenter Count | 7 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -6.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number