Chemical ID: 6691804

Cc1cn(c(=O)[nH]c1=O)C2CC(C(O2)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O
Chemical ID:
6691804
Name [?]:
1-[4-hydroxy-5-[[oxido-(oxido-phosphonatooxy-phosphoryl)oxy-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-])OP(=O)([O-])[O-])O
InChi [?]:
InChI=1/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/p-4
InChi Info:
AuxInfo=1/1/N:1,11,3,15,2,12,13,10,8,5,7,4,29,9,6,26,27,28,18,19,22,23,16,14,24,20,25,17,21/E:(16,17,18)(19,20)(21,22)/rA:29cCCCNCONCOCCCCOCOPOO-OPOO-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;s24;d25;s25;s25;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13N2O14P3-4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:5
ZAP Information [?]
Total:-381.441
Area:622.874
Solvation:-397.013
Coulombic:197.522
Bond Count [?]
All:30
Single:24
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:478.137
H-Bond Donors:1
H-Bond Acceptors:14
XLogP:-5.49
LogP (Chemaxon):-1.93

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Descriptor Annotations

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