Chemical ID: 6660544

c1cn(c(=O)[nH]c1=O)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OC3C(C(C(C(O3)CO)O)O)O)O)O
Chemical ID:
6660544
Name [?]:
1-[3,4-dihydroxy-5-[[oxido-[oxido-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-2-yl]pyrimidine-2,4-dione
SMILES [?]:
c1cn(c(=O)[nH]c1=O)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OC3C(C(C(C(O3)CO)O)O)O)O)O
InChi [?]:
InChI=1/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/p-2
InChi Info:
AuxInfo=1/1/N:1,2,30,14,28,12,7,27,11,26,10,25,9,24,4,6,3,31,8,32,35,33,36,34,5,17,18,21,22,15,13,29,23,19,16,20/E:(26,27)(28,29)/rA:36cCCNCONCOCCCCOCOPOO-OPOO-OCCCCCOCOOOOOO/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;s30;s27;s26;s25;s11;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22N2O17P2-2
All Atoms:36
Heavy Atoms:36
Chiral Atoms:11
ZAP Information [?]
Total:-121.18
Area:721.815
Solvation:-139.225
Coulombic:-119.135
Bond Count [?]
All:38
Single:33
Double:5
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:564.286
H-Bond Donors:6
H-Bond Acceptors:17
XLogP:-6.54
LogP (Chemaxon):-3.71

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