Chemical ID: 3967029

c1nc2c(c(n1)O)ncn2C3C(C(C(O3)CO)O)O
Chemical ID:
3967029
Name [?]:
2-(hydroxymethyl)-5-(6-hydroxypurin-9-yl)-tetrahydrofuran-3,4-diol
SMILES [?]:
c1nc2c(c(n1)O)ncn2C3C(C(C(O3)CO)O)O
InChi [?]:
InChI=1/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)
InChi Info:
AuxInfo=1/1/N:16,1,9,14,4,13,12,3,5,11,2,6,8,10,17,18,19,7,15/rA:19cCNCCCNONCNCCCCOCOOO/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s3s9;s10;s11;s12;s13;s11s14;s14;s16;s13;s12;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12N4O5
All Atoms:19
Heavy Atoms:19
Chiral Atoms:4
ZAP Information [?]
Total:3.055
Area:425.289
Solvation:-7.57722
Coulombic:-97.0279
Bond Count [?]
All:21
Single:17
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:268.226
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:-1.22
LogP (Chemaxon):-0.62

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