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117456-70-9 | Guanosine, 2'-deoxy-N-(2-hydroxy-1-phenylethyl)- (9CI)
CAS No: 117456-70-9 Catalog No: AG000EBW MDL No:
Product Description
Catalog Number:
AG000EBW
Chemical Name:
Guanosine, 2'-deoxy-N-(2-hydroxy-1-phenylethyl)- (9CI)
CAS Number:
117456-70-9
Molecular Formula:
C18H21N5O5
Molecular Weight:
387.3898
IUPAC Name:
9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-[(2-hydroxy-1-phenylethyl)amino]-1H-purin-6-one
InChI:
InChI=1S/C18H21N5O5/c24-7-11(10-4-2-1-3-5-10)20-18-21-16-15(17(27)22-18)19-9-23(16)14-6-12(26)13(8-25)28-14/h1-5,9,11-14,24-26H,6-8H2,(H2,20,21,22,27)/t11?,12-,13+,14+/m0/s1
InChI Key:
OATDVDXNQAULDQ-CKISJDIXSA-N
SMILES:
OCC(c1ccccc1)Nc1[nH]c(=O)c2c(n1)n(cn2)[C@H]1C[C@@H]([C@H](O1)CO)O
Properties
Complexity:
599
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
387.154g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
387.396g/mol
Monoisotopic Mass:
387.154g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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