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137896-14-1 | Adenosine, 2-(3-methoxy-1-propynyl)- (9CI)
CAS No: 137896-14-1 Catalog No: AG00141K MDL No:
Product Description
Catalog Number:
AG00141K
Chemical Name:
Adenosine, 2-(3-methoxy-1-propynyl)- (9CI)
CAS Number:
137896-14-1
Molecular Formula:
C14H17N5O5
Molecular Weight:
335.3153
IUPAC Name:
(2R,3R,4S,5R)-2-[6-amino-2-(3-methoxyprop-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C14H17N5O5/c1-23-4-2-3-8-17-12(15)9-13(18-8)19(6-16-9)14-11(22)10(21)7(5-20)24-14/h6-7,10-11,14,20-22H,4-5H2,1H3,(H2,15,17,18)/t7-,10-,11-,14-/m1/s1
InChI Key:
VGOZRQUUWDMUGS-FRJWGUMJSA-N
SMILES:
COCC#Cc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
335.123g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
335.32g/mol
Monoisotopic Mass:
335.123g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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