Chemical ID: 7461280

c1nc2c(n1COC(CO)CO)nc(nc2O)N
Chemical ID:
7461280
Name [?]:
2-[(2-amino-6-hydroxy-purin-9-yl)methoxy]propane-1,3-diol
SMILES [?]:
c1nc2c(n1COC(CO)CO)nc(nc2O)N
InChi [?]:
InChI=1/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17)
InChi Info:
AuxInfo=1/1/N:9,11,1,6,8,3,4,16,14,18,2,13,15,5,10,12,17,7/E:(1,2)(15,16)/rA:18nCNCCNCOCCOCONCNCON/rB:d1;s2;s3;s1s4;s5;s6;s7;s8;s9;s8;s11;d4;s13;d14;d3s15;s16;s14;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H13N5O4
All Atoms:31
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:3.25631
Area:433.631
Solvation:-7.58446
Coulombic:-94.3404
Bond Count [?]
All:19
Single:15
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:255.231
H-Bond Donors:5
H-Bond Acceptors:5
XLogP:-1.14
LogP (Chemaxon):-0.21

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Descriptor Annotations

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