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Chemical ID: 6692778
Chemical ID:
6692778
Name [?]:
[[5-(6-aminopurin-9-yl)-2-methyl-tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxyphosphonic acid
SMILES [?]:
CC1C(CC(O1)n2cnc3c2ncnc3N)OP(=O)(O)OP(=O)(O)O
InChi [?]:
InChI=1/C10H15N5O8P2/c1-5-6(22-25(19,20)23-24(16,17)18)2-7(21-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7H,2H2,1H3,(H,19,20)(H2,11,12,13)(H2,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,4,13,8,2,3,5,10,15,11,16,14,12,9,7,23,24,25,19,20,6,17,21,22,18/E:(16,17,18)(19,20)/rA:25cCCCCCONCNCCNCNCNOPOOOPOOO/rB:s1;s2;s3;s4;s2s5;s5;s7;d8;s9;s7s10;d11;s12;d13;d10s14;s15;s3;s17;d18;s18;s18;s21;d22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H15N5O8P2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 7.86275 |
Area: | 545.278 |
Solvation: | -5.76919 |
Coulombic: | -136.139 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 395.203 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 9 |
XLogP: | -2.57 |
LogP (Chemaxon): | -4.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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