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Chemical ID: 6509710
Chemical ID:
6509710
Name [?]:
[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxysodium
SMILES [?]:
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O[Na])O)O)N
InChi [?]:
InChI=1/C10H15N5O10P2.Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);/q;+1/p-1
InChi Info:
AuxInfo=1/1/N:15,1,8,13,4,12,11,3,5,10,28,2,6,9,7,26,27,22,23,24,18,19,16,14,20,21,17;25/E:(18,19,20)(21,22);/rA:28cCNCCCNNCNCCCCOCOPOOOPOOONaOON/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;s12;s11;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14N5NaO10P2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 6 |
ZAP Information [?]
Total: | 0.0 |
Area: | 0.0 |
Solvation: | 0.0 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 449.183 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 11 |
XLogP: | -3.73 |
LogP (Chemaxon): | -5.54 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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