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Chemical ID: 6914116
Chemical ID:
6914116
Name [?]:
[[[3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid
SMILES [?]:
Cc1cn(c(=O)[nH]c1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=[N+]=[N-]
InChi [?]:
InChI=1/C10H16N5O13P3/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(26-8)4-25-30(21,22)28-31(23,24)27-29(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,23,24)(H,12,16,17)(H2,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,11,3,15,2,12,13,10,8,5,31,7,29,30,4,9,6,26,27,28,18,19,22,23,16,14,24,20,25,17,21/E:(18,19,20)(21,22)(23,24)/CRV:14.5/rA:31cCCCNCONCOCCCCOCOPOOOPOOOPOOONN+N-/rB:s1;d2;s3;s4;d5;s5;s2s7;d8;s4;s10;s11;s12;s10s13;s13;s15;s16;d17;s17;s17;s20;d21;s21;s21;s24;d25;s25;s25;s12;d29;d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H16N5O13P3 |
All Atoms: | 47 |
Heavy Atoms: | 31 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 2.64136 |
Area: | 666.974 |
Solvation: | -14.033 |
Coulombic: | -172.056 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 507.181 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 16 |
XLogP: | -5.72 |
LogP (Chemaxon): | -3.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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