| CAS Number | 1432630-26-6 |
| Catalog Number | AG009EZK(AGN-PC-0WH31G) |
| Chemical Name | (S)-(((((1-(6-Amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphoryl)bis(oxy))bis(methylene) diisopropyl dicarbonate fumarate |
| IUPAC Name | [[(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;(E)-but-2-enedioic acid |
| InChI | InChI=1S/C19H30N5O10P.C4H4O4/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24;5-3(6)1-2-4(7)8/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22);1-2H,(H,5,6)(H,7,8)/b;2-1+/t14-;/m0./s1 |
| InChI Key | VCMJCVGFSROFHV-KZHAMYRLSA-N |
| MDL Number | MFCD08694923 |
| Molecular Formula | C23H34N5O14P |
| Molecular Weight | 635.5149 |
| SMILES | C(=C/C(O)=O)\C(O)=O.C([C@@H](OCP(OCOC(OC(C)C)=O)(OCOC(OC(C)C)=O)=O)C)N1C=2C(N=C1)=C(N)N=CN2 |
| Synonyms | 1432630-26-6,
AC1NR047,
(S)-Tenofovir Disoproxil Fumarate,
AKOS000280900,
5-[[(1S)-2-(6-Amino-9H-purin-9-yl)-1-methylethoxy]methyl]-2,4,6,8-tetraoxa-5-phosphanonanedioic Acid 1,9-Bis(1-methylethyl) Ester 5-Oxide (2E)-2-Butenedioate,
[[(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate; (E)-but-2-enedioic acid,
MFCD08694923,
5-[[(1S)-2-(6-amino-9h-purin-9-yl)-1-methylethoxy]methyl]-2,4,6,8-tetraoxa-5-phosphanonanedioic acid 1,9-bis(1-methylethyl) ester 5-oxide(2e)-2-butenedioate,
S-Tenofovir disoproxil fumarate,
VCMJCVGFSROFHV-KZHAMYRLSA-N,
|
| Complexity | 817 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 635.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 43 |
| Hydrogen Bond Acceptor Count | 18 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 635.52g/mol |
| Monoisotopic Mass | 635.184g/mol |
| Rotatable Bond Count | 19 |
| Topological Polar Surface Area | 260A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number