Chemical ID: 6693218

CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3[nH]c(nc4=O)N)O)O)O)O)O
Chemical ID:
6693218
Name [?]:
[[5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-phosphinic acid
SMILES [?]:
CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3[nH]c(nc4=O)N)O)O)O)O)O
InChi [?]:
InChI=1/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)
InChi Info:
AuxInfo=1/1/N:1,17,24,2,18,26,3,19,4,20,5,27,31,21,6,29,33,25,28,30,23,38,35,37,34,36,32,14,15,10,11,16,7,22,8,12,13,9/E:(28,29)(30,31)/rA:38cCCCCCCOOPOOOPOOOCCCCCONCNCCNCNCONOOOOO/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;d9;s9;s9;s12;d13;s13;s13;s16;s17;s18;s19;s20;s18s21;s21;s23;d24;s25;s23d26;s27;s28;d29;s26s30;d31;s29;s20;s19;s5;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25N5O15P2
All Atoms:38
Heavy Atoms:38
Chiral Atoms:11
ZAP Information [?]
Total:4.62395
Area:754.072
Solvation:-14.2278
Coulombic:-234.973
Bond Count [?]
All:41
Single:35
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:589.342
H-Bond Donors:9
H-Bond Acceptors:16
XLogP:-4.82
LogP (Chemaxon):-4.51

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