Chemical ID: 7224985

c1[nH+]c(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O)O)N
Chemical ID:
7224985
Name [?]:
2-(6-amino-1H-purin-9-yl)-5-[[[(hydroxy-oxido-phosphoryl)oxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]tetrahydrofuran-3,4-diol
SMILES [?]:
c1[nH+]c(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-])O)O)N
InChi [?]:
InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/p-2
InChi Info:
AuxInfo=1/1/N:15,1,8,13,4,12,11,3,5,10,31,2,6,9,7,29,30,26,27,28,18,19,22,23,16,14,24,20,25,17,21/E:(18,19,20)(21,22)(23,24)/rA:31cCN+CCCNNCNCCCCOCOPOO-OPOO-OPOOO-OON/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s7;s10;s11;s12;s10s13;s13;s15;s16;d17;s17;s17;s20;d21;s21;s21;s24;d25;s25;s25;s12;s11;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14N5O13P3-2
All Atoms:45
Heavy Atoms:31
Chiral Atoms:None
ZAP Information [?]
Total:-212.036
Area:646.641
Solvation:-228.202
Coulombic:-15.953
Bond Count [?]
All:33
Single:26
Double:7
Rotors:8
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:-5.53
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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