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26001-38-7 | Guanosine, 7,8-dihydro-8-thioxo-
CAS No: 26001-38-7 Catalog No: AG002RDD MDL No:
Product Description
Catalog Number:
AG002RDD
Chemical Name:
Guanosine, 7,8-dihydro-8-thioxo-
CAS Number:
26001-38-7
Molecular Formula:
C10H13N5O5S
Molecular Weight:
315.3057
IUPAC Name:
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-sulfanylidene-1,7-dihydropurin-6-one
InChI:
InChI=1S/C10H13N5O5S/c11-9-13-6-3(7(19)14-9)12-10(21)15(6)8-5(18)4(17)2(1-16)20-8/h2,4-5,8,16-18H,1H2,(H,12,21)(H3,11,13,14,19)/t2-,4-,5-,8-/m1/s1
InChI Key:
KZELNMSPWPFAEB-UMMCILCDSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1c(=S)[nH]c2c1nc(N)[nH]c2=O
EC Number:
247-402-4
UNII:
B0T9FOW56N
Properties
Complexity:
578
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
315.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
315.304g/mol
Monoisotopic Mass:
315.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
185A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3
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