Chemical ID: 6510531

c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)([O-])OP(=O)(O)[O-])O)O)N
Chemical ID:
6510531
Name [?]:
2-(6-aminopurin-9-yl)-5-[[(hydroxy-oxido-phosphoryl)oxy-oxido-phosphoryl]oxymethyl]tetrahydrofuran-3,4-diol
SMILES [?]:
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)([O-])OP(=O)(O)[O-])O)O)N
InChi [?]:
InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/p-2
InChi Info:
AuxInfo=1/1/N:15,1,8,13,4,12,11,3,5,10,27,2,6,9,7,25,26,22,23,24,18,19,16,14,20,21,17/E:(18,19,20)(21,22)/rA:27cCNCCCNNCNCCCCOCOPOO-OPOOO-OON/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s7;s10;s11;s12;s10s13;s13;s15;s16;d17;s17;s17;s20;d21;s21;s21;s12;s11;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13N5O10P2-2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:6
ZAP Information [?]
Total:-111.012
Area:579.271
Solvation:-125.494
Coulombic:-61.7136
Bond Count [?]
All:29
Single:23
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:425.185
H-Bond Donors:5
H-Bond Acceptors:11
XLogP:-4.3
LogP (Chemaxon):-6.08

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Descriptor Annotations

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