Chemical ID: 5196491

CCCCNc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)O)O
Chemical ID:
5196491
Name [?]:
2-(6-butylaminopurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
SMILES [?]:
CCCCNc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)O)O
InChi [?]:
InChI=1/C14H21N5O4/c1-2-3-4-15-12-9-13(17-6-16-12)19(7-18-9)14-11(22)10(21)8(5-20)23-14/h6-8,10-11,14,20-22H,2-5H2,1H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,20,10,13,18,7,17,16,6,8,15,5,11,9,14,12,21,22,23,19/rA:23cCCCCNCCCNCNNCNCCCCOCOOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s8;s12;s7d13;s12;s15;s16;s17;s15s18;s18;s20;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21N5O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:4
ZAP Information [?]
Total:6.32452
Area:531.821
Solvation:-6.97101
Coulombic:-93.421
Bond Count [?]
All:25
Single:21
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:323.348
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:0.18
LogP (Chemaxon):0.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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