Chemical ID: 4514815

c1nc(c2c(n1)n(cn2)C3CC(C(O3)CO)O)N
Chemical ID:
4514815
Name [?]:
5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
SMILES [?]:
c1nc(c2c(n1)n(cn2)C3CC(C(O3)CO)O)N
InChi [?]:
InChI=1/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)
InChi Info:
AuxInfo=1/1/N:11,15,1,8,12,13,10,4,3,5,18,2,6,9,7,16,17,14/rA:18cCNCCCNNCNCCCCOCOON/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s7;s10;s11;s12;s10s13;s13;s15;s12;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13N5O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:3
ZAP Information [?]
Total:5.40222
Area:419.615
Solvation:-5.08816
Coulombic:-80.5699
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:-0.82
LogP (Chemaxon):-0.5

Name Annotations

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Descriptor Annotations

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