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113516-59-9 | Guanosine, 2'-deoxy-1-(2-hydroxyethyl)-
CAS No: 113516-59-9 Catalog No: AG0008V1 MDL No:
Product Description
Catalog Number:
AG0008V1
Chemical Name:
Guanosine, 2'-deoxy-1-(2-hydroxyethyl)-
CAS Number:
113516-59-9
Molecular Formula:
C12H17N5O5
Molecular Weight:
311.2939
IUPAC Name:
2-amino-1-(2-hydroxyethyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-one
InChI:
InChI=1S/C12H17N5O5/c13-12-15-10-9(11(21)16(12)1-2-18)14-5-17(10)8-3-6(20)7(4-19)22-8/h5-8,18-20H,1-4H2,(H2,13,15)/t6-,7+,8+/m0/s1
InChI Key:
KDIPWTXAMMYPCD-XLPZGREQSA-N
SMILES:
OCCn1c(N)nc2c(c1=O)ncn2[C@@H]1O[C@@H]([C@H](C1)O)CO
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
311.123g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
311.298g/mol
Monoisotopic Mass:
311.123g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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