Chemical ID: 6691967

c1cn(c(=O)[nH]c1=O)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OC3C(C(C(C(O3)C(=O)[O-])O)O)O)O)O
Chemical ID:
6691967
Name [?]:
6-[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylate
SMILES [?]:
c1cn(c(=O)[nH]c1=O)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OC3C(C(C(C(O3)C(=O)[O-])O)O)O)O)O
InChi [?]:
InChI=1/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/p-3
InChi Info:
AuxInfo=1/1/N:1,2,14,12,7,11,26,27,10,25,28,9,30,24,4,6,3,8,36,34,33,37,35,31,32,5,17,18,21,22,15,13,29,23,19,16,20/E:(24,25)(27,28)(29,30)/rA:37cCCNCONCOCCCCOCOPOO-OPOO-OCCCCCOCOO-OOOOO/rB:d1;s2;s3;d4;s4;s1s6;d7;s3;s9;s10;s11;s9s12;s12;s14;s15;d16;s16;s16;s19;d20;s20;s20;s23;s24;s25;s26;s27;s24s28;s28;d30;s30;s27;s26;s25;s11;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19N2O18P2-3
All Atoms:37
Heavy Atoms:37
Chiral Atoms:11
ZAP Information [?]
Total:-210.243
Area:726.263
Solvation:-228.399
Coulombic:-52.6116
Bond Count [?]
All:39
Single:33
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:577.262
H-Bond Donors:5
H-Bond Acceptors:18
XLogP:-6.65
LogP (Chemaxon):-3.6

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