Chemical ID: 5113171

c1nc(c2c(n1)n(cn2)C3C(C(CO3)CO)O)N
Chemical ID:
5113171
Name [?]:
2-(6-aminopurin-9-yl)-4-(hydroxymethyl)tetrahydrofuran-3-ol
SMILES [?]:
c1nc(c2c(n1)n(cn2)C3C(C(CO3)CO)O)N
InChi [?]:
InChI=1/C10H13N5O3/c11-8-6-9(13-3-12-8)15(4-14-6)10-7(17)5(1-16)2-18-10/h3-5,7,10,16-17H,1-2H2,(H2,11,12,13)
InChi Info:
AuxInfo=1/1/N:15,13,1,8,12,4,11,3,5,10,18,2,6,9,7,16,17,14/rA:18cCNCCCNNCNCCCCOCOON/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s7;s10;s11;s12;s10s13;s12;s15;s11;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13N5O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:3
ZAP Information [?]
Total:6.44913
Area:413.527
Solvation:-3.88905
Coulombic:-82.1935
Bond Count [?]
All:20
Single:16
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:251.242
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:-0.98
LogP (Chemaxon):-0.73

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Descriptor Annotations

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