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Chemical ID: 6913916
Chemical ID:
6913916
Name [?]:
[5-(6-aminopurin-9-yl)-3-phosphonooxy-tetrahydrofuran-2-yl]methoxyphosphonic acid
SMILES [?]:
c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)O)OP(=O)(O)O)N
InChi [?]:
InChI=1/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(24-26(19,20)21)6(23-7)2-22-25(16,17)18/h3-7H,1-2H2,(H2,11,12,13)(H2,16,17,18)(H2,19,20,21)
InChi Info:
AuxInfo=1/1/N:11,15,1,8,12,13,10,4,3,5,26,2,6,9,7,18,19,20,23,24,25,16,14,21,17,22/E:(16,17,18)(19,20,21)/rA:26cCNCCCNNCNCCCCOCOPOOOOPOOON/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s7;s10;s11;s12;s10s13;s13;s15;s16;d17;s17;s17;s12;s21;d22;s22;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H15N5O9P2 |
All Atoms: | 41 |
Heavy Atoms: | 26 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.50714 |
Area: | 574.455 |
Solvation: | -6.85423 |
Coulombic: | -151.574 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 411.202 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 10 |
XLogP: | -3.7 |
LogP (Chemaxon): | -4.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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