200,000+ products from a single source!
sales@angenechem.com
1244022-53-4 | 2,4,6,8-Tetraoxa-5-phosphanonanedioic acid, 5-[[(1R)-2-[6-[(hydroxymethyl)amino]-9H-purin-9-yl]-1-methylethoxy]methyl]-, 1,9-bis(1-methylethyl) ester, 5-oxide
CAS No: 1244022-53-4 Catalog No: AG000LYC MDL No:
Product Description
Catalog Number:
AG000LYC
Chemical Name:
2,4,6,8-Tetraoxa-5-phosphanonanedioic acid, 5-[[(1R)-2-[6-[(hydroxymethyl)amino]-9H-purin-9-yl]-1-methylethoxy]methyl]-, 1,9-bis(1-methylethyl) ester, 5-oxide
CAS Number:
1244022-53-4
Molecular Formula:
C20H32N5O11P
Molecular Weight:
549.4687
IUPAC Name:
[[(2R)-1-[6-(hydroxymethylamino)purin-9-yl]propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate
InChI:
InChI=1S/C20H32N5O11P/c1-13(2)35-19(27)30-10-33-37(29,34-11-31-20(28)36-14(3)4)12-32-15(5)6-25-8-23-16-17(24-9-26)21-7-22-18(16)25/h7-8,13-15,26H,6,9-12H2,1-5H3,(H,21,22,24)/t15-/m1/s1
InChI Key:
OCSNDZVWYFILJW-OAHLLOKOSA-N
SMILES:
OCNc1ncnc2c1ncn2C[C@H](OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)C
Properties
Complexity:
730
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
549.184g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
549.474g/mol
Monoisotopic Mass:
549.184g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
192A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.