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138849-37-3 | Adenosine, N-cyclopropyl-, 5'-carbamate (9CI)
CAS No: 138849-37-3 Catalog No: AG0019OZ MDL No:
Product Description
Catalog Number:
AG0019OZ
Chemical Name:
Adenosine, N-cyclopropyl-, 5'-carbamate (9CI)
CAS Number:
138849-37-3
Molecular Formula:
C14H18N6O5
Molecular Weight:
350.3299
IUPAC Name:
[5-[6-(cyclopropylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl carbamate
InChI:
InChI=1S/C14H18N6O5/c15-14(23)24-3-7-9(21)10(22)13(25-7)20-5-18-8-11(19-6-1-2-6)16-4-17-12(8)20/h4-7,9-10,13,21-22H,1-3H2,(H2,15,23)(H,16,17,19)
InChI Key:
KKXMRTYKQADNRJ-UHFFFAOYSA-N
SMILES:
NC(=O)OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC1CC1
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.134g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
350.335g/mol
Monoisotopic Mass:
350.134g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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