Chemical ID: 6692979

CC(CCNc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)O)O)CO
Chemical ID:
6692979
Name [?]:
2-(hydroxymethyl)-5-[6-(4-hydroxy-3-methyl-butyl)aminopurin-9-yl]-tetrahydrofuran-3,4-diol
SMILES [?]:
CC(CCNc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)O)O)CO
InChi [?]:
InChI=1/C15H23N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h6-9,11-12,15,21-24H,2-5H2,1H3,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,4,24,20,10,13,2,18,7,17,16,6,8,15,5,11,9,14,12,25,21,22,23,19/rA:25cCCCCNCCCNCNNCNCCCCOCOOOCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s8;s12;s7d13;s12;s15;s16;s17;s15s18;s18;s20;s17;s16;s2;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23N5O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:5
ZAP Information [?]
Total:5.84786
Area:566.554
Solvation:-8.31598
Coulombic:-109.449
Bond Count [?]
All:27
Single:23
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:353.374
H-Bond Donors:5
H-Bond Acceptors:6
XLogP:-0.86
LogP (Chemaxon):-0.3

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Descriptor Annotations

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