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208445-06-1 | 8-bromo-guanosinecyclic3',5'-[(R)-(hydrogenphosphorothioate)],monosodiumsalt
CAS No: 208445-06-1 Catalog No: AG01EPCR MDL No:
Product Description
Catalog Number:
AG01EPCR
Chemical Name:
8-bromo-guanosinecyclic3',5'-[(R)-(hydrogenphosphorothioate)],monosodiumsalt
CAS Number:
208445-06-1
Molecular Formula:
C10H10BrN5NaO6PS
Molecular Weight:
462.1488
IUPAC Name:
sodium;9-[(4aR,6R,7R,7aS)-7-hydroxy-2-oxido-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-8-bromo-2-imino-5H-purin-6-one
InChI:
InChI=1S/C10H11BrN5O6PS.Na/c11-9-13-3-6(14-10(12)15-7(3)18)16(9)8-4(17)5-2(21-8)1-20-23(19,24)22-5;/h2-5,8,17H,1H2,(H,19,24)(H2,12,15,18);/q;+1/p-1/t2-,3?,4-,5-,8-,23?;/m1./s1
InChI Key:
TYKQBWMLDODIEY-KUXNCGIJSA-M
SMILES:
O[C@@H]1[C@@H]2O[P@](=O)([S-])OC[C@H]2O[C@H]1n1c(Br)nc2c1nc(N)[nH]c2=O.[Na+]
Properties
Complexity:
753
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
460.917g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
462.147g/mol
Monoisotopic Mass:
460.917g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
184A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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