Chemical ID: 5087724

C(C1C(C(C(O1)n2c3c(c(nc(n3)N)O)[nH]c2=O)O)O)O
Chemical ID:
5087724
Name [?]:
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-hydroxy-7H-purin-8-one
SMILES [?]:
C(C1C(C(C(O1)n2c3c(c(nc(n3)N)O)[nH]c2=O)O)O)O
InChi [?]:
InChI=1/C10H13N5O6/c11-9-13-6-3(7(19)14-9)12-10(20)15(6)8-5(18)4(17)2(1-16)21-8/h2,4-5,8,16-18H,1H2,(H,12,20)(H3,11,13,14,19)
InChi Info:
AuxInfo=1/1/N:1,2,9,3,4,8,10,5,12,17,14,16,13,11,7,21,20,19,15,18,6/rA:21cCCCCCONCCCNCNNONCOOOO/rB:s1;s2;s3;s4;s2s5;s5;s7;s8;d9;s10;d11;d8s12;s12;s10;s9;s7s16;d17;s4;s3;s1;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13N5O6
All Atoms:21
Heavy Atoms:21
Chiral Atoms:4
ZAP Information [?]
Total:3.26999
Area:426.566
Solvation:-7.39416
Coulombic:-131.119
Bond Count [?]
All:23
Single:19
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:299.24
H-Bond Donors:6
H-Bond Acceptors:7
XLogP:-2.33
LogP (Chemaxon):-0.22

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