Chemical ID: 4743394

CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
Chemical ID:
4743394
Name [?]:
2-(6-aminopurin-9-yl)-5-methyl-tetrahydrofuran-3,4-diol
SMILES [?]:
CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
InChi [?]:
InChI=1/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,13,8,2,10,3,4,15,11,5,16,14,12,9,7,18,17,6/rA:18cCCCCCONCNCCNCNCNOO/rB:s1;s2;s3;s4;s2s5;s5;s7;d8;s9;s7s10;d11;s12;d13;d10s14;s15;s4;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13N5O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:4
ZAP Information [?]
Total:5.30364
Area:402.464
Solvation:-4.75796
Coulombic:-81.355
Bond Count [?]
All:20
Single:16
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:251.242
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:-0.71
LogP (Chemaxon):-0.33

Name Annotations

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Descriptor Annotations

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