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Chemical ID: 6691802
Chemical ID:
6691802
Name [?]:
1-[4-hydroxy-5-[(oxido-phosphonatooxy-phosphoryl)oxymethyl]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
SMILES [?]:
Cc1cn(c(=O)[nH]c1=O)C2CC(C(O2)COP(=O)([O-])OP(=O)([O-])[O-])O
InChi [?]:
InChI=1/C10H16N2O11P2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,11,14,15)(H2,16,17,18)/p-3
InChi Info:
AuxInfo=1/1/N:1,11,3,15,2,12,13,10,8,5,7,4,25,9,6,22,23,24,18,19,16,14,20,21,17/E:(16,17,18)(19,20)/rA:25cCCCNCONCOCCCCOCOPOO-OPOO-O-O/rB:s1;d2;s3;s4;d5;s5;s2s7;d8;s4;s10;s11;s12;s10s13;s13;s15;s16;d17;s17;s17;s20;d21;s21;s21;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13N2O11P2-3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | -248.598 |
Area: | 556.174 |
Solvation: | -262.502 |
Coulombic: | 100.752 |
Bond Count [?]
All: | 26 |
Single: | 21 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 399.165 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 11 |
XLogP: | -4.26 |
LogP (Chemaxon): | -1.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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