Chemical ID: 6692778

CC1C(CC(O1)n2cnc3c2ncnc3N)OP(=O)(O)OP(=O)(O)O
Chemical ID:
6692778
Name [?]:
[[5-(6-aminopurin-9-yl)-2-methyl-tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxyphosphonic acid
SMILES [?]:
CC1C(CC(O1)n2cnc3c2ncnc3N)OP(=O)(O)OP(=O)(O)O
InChi [?]:
InChI=1/C10H15N5O8P2/c1-5-6(22-25(19,20)23-24(16,17)18)2-7(21-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7H,2H2,1H3,(H,19,20)(H2,11,12,13)(H2,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,4,13,8,2,3,5,10,15,11,16,14,12,9,7,23,24,25,19,20,6,17,21,22,18/E:(16,17,18)(19,20)/rA:25cCCCCCONCNCCNCNCNOPOOOPOOO/rB:s1;s2;s3;s4;s2s5;s5;s7;d8;s9;s7s10;d11;s12;d13;d10s14;s15;s3;s17;d18;s18;s18;s21;d22;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H15N5O8P2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:4
ZAP Information [?]
Total:7.86275
Area:545.278
Solvation:-5.76919
Coulombic:-136.139
Bond Count [?]
All:27
Single:21
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:395.203
H-Bond Donors:5
H-Bond Acceptors:9
XLogP:-2.57
LogP (Chemaxon):-4.7

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