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126092-39-5 | Guanosine, 7,8-dihydro-7-(2-propenyl)-8-thioxo- (9CI)
CAS No: 126092-39-5 Catalog No: AG000RM4 MDL No:
Product Description
Catalog Number:
AG000RM4
Chemical Name:
Guanosine, 7,8-dihydro-7-(2-propenyl)-8-thioxo- (9CI)
CAS Number:
126092-39-5
Molecular Formula:
C13H17N5O5S
Molecular Weight:
355.3696
IUPAC Name:
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-prop-2-enyl-8-sulfanylidene-1H-purin-6-one
InChI:
InChI=1S/C13H17N5O5S/c1-2-3-17-6-9(15-12(14)16-10(6)22)18(13(17)24)11-8(21)7(20)5(4-19)23-11/h2,5,7-8,11,19-21H,1,3-4H2,(H3,14,15,16,22)/t5-,7-,8-,11-/m1/s1
InChI Key:
SXPYULBAYIGUQD-IOSLPCCCSA-N
SMILES:
C=CCn1c(=S)n(c2c1c(=O)[nH]c(n2)N)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO
Properties
Complexity:
665
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
355.095g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
355.369g/mol
Monoisotopic Mass:
355.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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