Home Carboxys rac-(2R,5S)-5-[(6-amino-9H-purin-9-yl)methyl]oxolane-2-carboxylic acid, cis

rac-(2R,5S)-5-[(6-amino-9H-purin-9-yl)methyl]oxolane-2-carboxylic acid, cis

CAS No.:
2059917-81-4
Catalog Number:
AG01BRPQ
Molecular Formula:
C11H13N5O3
Molecular Weight:
263.2526
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Product Description
Catalog Number:
AG01BRPQ
Chemical Name:
rac-(2R,5S)-5-[(6-amino-9H-purin-9-yl)methyl]oxolane-2-carboxylic acid, cis
CAS Number:
2059917-81-4
Molecular Formula:
C11H13N5O3
Molecular Weight:
263.2526
MDL Number:
MFCD30535854
IUPAC Name:
(2R,5S)-5-[(6-aminopurin-9-yl)methyl]oxolane-2-carboxylic acid
InChI:
InChI=1S/C11H13N5O3/c12-9-8-10(14-4-13-9)16(5-15-8)3-6-1-2-7(19-6)11(17)18/h4-7H,1-3H2,(H,17,18)(H2,12,13,14)/t6-,7+/m0/s1
InChI Key:
ULAGPVSFVGIAFT-NKWVEPMBSA-N
SMILES:
OC(=O)[C@H]1CC[C@H](O1)Cn1cnc2c1ncnc2N
Properties
Complexity:
355  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
263.102g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
263.257g/mol
Monoisotopic Mass:
263.102g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties