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Chemical ID: 7224985
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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