Chemical ID: 3966751

c1nc2c(=O)[nH]c(nc2n1COC(CO)CO)N
Chemical ID:
3966751
Name [?]:
2-amino-9-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-1H-purin-6-one
SMILES [?]:
c1nc2c(=O)[nH]c(nc2n1COC(CO)CO)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:14,16,1,11,13,3,9,4,7,18,2,8,6,10,15,17,5,12/E:(1,2)(15,16)/rA:18nCNCCONCNCNCOCCOCON/rB:d1;s2;s3;d4;s4;s6;d7;d3s8;s1s9;s10;s11;s12;s13;s14;s13;s16;s7;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H13N5O4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:3.28272
Area:431.612
Solvation:-7.50757
Coulombic:-92.2191
Bond Count [?]
All:19
Single:15
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:255.231
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:-2.32
LogP (Chemaxon):-1.07

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Descriptor Annotations

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