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128312-31-2 | Guanosine, P,2'-dideoxy-P-methylcytidylyl-(3'→5')-, (R)- (9CI)
CAS No: 128312-31-2 Catalog No: AG000XYG MDL No:
Product Description
Catalog Number:
AG000XYG
Chemical Name:
Guanosine, P,2'-dideoxy-P-methylcytidylyl-(3'→5')-, (R)- (9CI)
CAS Number:
128312-31-2
Molecular Formula:
C20H27N8O10P
Molecular Weight:
570.4497
IUPAC Name:
2-amino-9-[5-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-methylphosphoryl]oxymethyl]-4-hydroxyoxolan-2-yl]-1H-purin-6-one
InChI:
InChI=1S/C20H27N8O9P/c1-38(33,37-10-5-15(35-11(10)6-29)27-3-2-13(21)24-20(27)32)34-7-12-9(30)4-14(36-12)28-8-23-16-17(28)25-19(22)26-18(16)31/h2-3,8-12,14-15,29-30H,4-7H2,1H3,(H2,21,24,32)(H3,22,25,26,31)
InChI Key:
XHXQRVAZNAXVMD-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(N)[nH]c2=O)C)n1ccc(nc1=O)N
Properties
Complexity:
1100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
554.164g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
554.457g/mol
Monoisotopic Mass:
554.164g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
238A^2
Undefined Atom Stereocenter Count:
7
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.1
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