Chemical ID: 5118405

c1nc(c2c(n1)n(c(n2)N=[N+]=[N-])C3C(C(C(O3)CO)O)O)N
Chemical ID:
5118405
Name [?]:
2-(6-amino-8-azido-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
SMILES [?]:
c1nc(c2c(n1)n(c(n2)N=[N+]=[N-])C3C(C(C(O3)CO)O)O)N
InChi [?]:
InChI=1/C10H12N8O4/c11-7-4-8(14-2-13-7)18(10(15-4)16-17-12)9-6(21)5(20)3(1-19)22-9/h2-3,5-6,9,19-21H,1H2,(H2,11,13,14)
InChi Info:
AuxInfo=1/1/N:18,1,16,4,15,14,3,5,13,8,22,12,2,6,9,10,11,7,19,20,21,17/CRV:17.5/rA:22cCNCCCNNCNNN+N-CCCCOCOOON/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s8;d10;d11;s7;s13;s14;s15;s13s16;s16;s18;s15;s14;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12N8O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:4
ZAP Information [?]
Total:1.73197
Area:480.467
Solvation:-10.2797
Coulombic:-107.724
Bond Count [?]
All:24
Single:18
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:308.254
H-Bond Donors:5
H-Bond Acceptors:8
XLogP:-2.54
LogP (Chemaxon):-2.14

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