Chemical ID: 3966468

Cc1cn(c(=O)[nH]c1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
Chemical ID:
3966468
Name [?]:
[hydroxy-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-tetrahydrofuran-2-yl]methoxy]phosphoryl]oxy-phosphoryl]oxyphosphonic acid
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)
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:29cCCCNCONCOCCCCOCOPOOOPOOOPOOOO/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:C10H17N2O14P3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:5
ZAP Information [?]
Total:5.13654
Area:621.734
Solvation:-10.4068
Coulombic:-184.426
Bond Count [?]
All:30
Single:24
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:482.168
H-Bond Donors:5
H-Bond Acceptors:14
XLogP:-5.49
LogP (Chemaxon):-1.93

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Descriptor Annotations

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