Chemical ID: 6691965

CC(=O)NC1C(C(C(OC1OP(=O)([O-])OP(=O)([O-])OCC2C(C(C(O2)n3ccc(=O)[nH]c3=O)O)O)CO)O)O
Chemical ID:
6691965
Name [?]:
N-[2-[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
SMILES [?]:
CC(=O)NC1C(C(C(OC1OP(=O)([O-])OP(=O)([O-])OCC2C(C(C(O2)n3ccc(=O)[nH]c3=O)O)O)CO)O)O
InChi [?]:
InChI=1/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/p-2
InChi Info:
AuxInfo=1/1/N:1,28,27,36,20,2,8,21,29,5,7,22,6,23,24,10,32,4,31,26,37,3,30,38,35,39,34,33,17,18,13,14,19,25,9,11,15,16,12/E:(29,30)(31,32)/rA:39cCCONCCCCOCOPOO-OPOO-OCCCCCONCCCONCOOOCOOO/rB:s1;d2;s2;s4;s5;s6;s7;s8;s5s9;s10;s11;d12;s12;s12;s15;d16;s16;s16;s19;s20;s21;s22;s23;s21s24;s24;s26;d27;s28;d29;s29;s26s31;d32;s23;s22;s8;s36;s7;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H25N3O17P2-2
All Atoms:39
Heavy Atoms:39
Chiral Atoms:11
ZAP Information [?]
Total:-120.514
Area:767.196
Solvation:-139.694
Coulombic:-119.348
Bond Count [?]
All:41
Single:35
Double:6
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:605.338
H-Bond Donors:6
H-Bond Acceptors:18
XLogP:-6.33
LogP (Chemaxon):-4.23

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