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Chemical ID: 4555867
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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