Chemical ID: 4555867

c1nc2c(c(n1)N3CCCCC3)ncn2C4C(C(C(O4)CO)O)O
Chemical ID:
4555867
Name [?]:
2-(hydroxymethyl)-5-[6-(1-piperidyl)purin-9-yl]-tetrahydrofuran-3,4-diol
SMILES [?]:
c1nc2c(c(n1)N3CCCCC3)ncn2C4C(C(C(O4)CO)O)O
InChi [?]:
InChI=1/C15H21N5O4/c21-6-9-11(22)12(23)15(24-9)20-8-18-10-13(16-7-17-14(10)20)19-4-2-1-3-5-19/h7-9,11-12,15,21-23H,1-6H2
InChi Info:
AuxInfo=1/0/N:10,9,11,8,12,21,1,14,19,4,18,17,5,3,16,6,2,13,7,15,22,23,24,20/E:(2,3)(4,5)/rA:24cCNCCCNNCCCCCNCNCCCCOCOOO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s7s11;s4;d13;s3s14;s15;s16;s17;s18;s16s19;s19;s21;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21N5O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:4
ZAP Information [?]
Total:5.58593
Area:511.155
Solvation:-7.19295
Coulombic:-87.921
Bond Count [?]
All:27
Single:23
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:335.359
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:0.26
LogP (Chemaxon):0.65

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Descriptor Annotations

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