Chemical ID: 4084490

C(C1C(C(C(O1)n2c3c(c(=O)[nH]c(n3)N)[nH]c2=O)O)O)O
Chemical ID:
4084490
Name [?]:
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,7-dihydropurine-6,8-dione
SMILES [?]:
C(C1C(C(C(O1)n2c3c(c(=O)[nH]c(n3)N)[nH]c2=O)O)O)O
InChi [?]:
InChI=1/C10H13N5O6/c11-9-13-6-3(7(19)14-9)12-10(20)15(6)8-5(18)4(17)2(1-16)21-8/h2,4-5,8,16-18H,1H2,(H,12,20)(H3,11,13,14,19)
InChi Info:
AuxInfo=1/1/N:1,2,9,3,4,8,10,5,13,17,15,16,14,12,7,21,20,19,11,18,6/rA:21cCCCCCONCCCONCNNNCOOOO/rB:s1;s2;s3;s4;s2s5;s5;s7;d8;s9;d10;s10;s12;s8d13;s13;s9;s7s16;d17;s4;s3;s1;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13N5O6
All Atoms:21
Heavy Atoms:21
Chiral Atoms:4
ZAP Information [?]
Total:3.36771
Area:423.832
Solvation:-7.22809
Coulombic:-128.95
Bond Count [?]
All:23
Single:19
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:299.24
H-Bond Donors:5
H-Bond Acceptors:7
XLogP:-3.51
LogP (Chemaxon):-1.08

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