Chemical ID: 7232780

c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)[O-])[NH3+])O)O)N
Chemical ID:
7232780
Name [?]:
4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]-2-azaniumyl-butanoate
SMILES [?]:
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)[O-])[NH3+])O)O)N
InChi [?]:
InChI=1/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)
InChi Info:
AuxInfo=1/1/N:18,17,15,1,8,19,13,4,12,11,3,5,10,20,23,26,2,6,9,7,24,25,21,22,14,16/E:(23,24)/rA:26cCNCCCNNCNCCCCOCSCCCCOO-N+OON/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s7;s10;s11;s12;s10s13;s13;s15;s16;s17;s18;s19;d20;s20;s19;s12;s11;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20N6O5S
All Atoms:46
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:-27.1795
Area:595.647
Solvation:-42.0707
Coulombic:-86.6563
Bond Count [?]
All:28
Single:23
Double:5
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:-1.58
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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