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89016-30-8 | Adenosine, 5'-[hydrogen (phosphonomethyl)phosphonate], sodium salt
CAS No: 89016-30-8 Catalog No: AG01FGAV MDL No:
Product Description
Catalog Number:
AG01FGAV
Chemical Name:
Adenosine, 5'-[hydrogen (phosphonomethyl)phosphonate], sodium salt
CAS Number:
89016-30-8
Molecular Formula:
C11H16N5NaO9P2
Molecular Weight:
447.2101
IUPAC Name:
sodium;[[(2R,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methyl-hydroxyphosphinate
InChI:
InChI=1S/C11H17N5O9P2.Na/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21;/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21);/q;+1/p-1/t5-,7-,8+,11-;/m1./s1
InChI Key:
RFGZKSPLJPHQMI-RDJRRFHDSA-M
SMILES:
[Na]OP(=O)(CP(=O)(OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O
Properties
Complexity:
650
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
447.032g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
447.212g/mol
Monoisotopic Mass:
447.032g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
226A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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