Chemical ID: 6691802

Cc1cn(c(=O)[nH]c1=O)C2CC(C(O2)COP(=O)([O-])OP(=O)([O-])[O-])O
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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