Chemical ID: 6045712

CC(C(c1cnc2c(n1)c(nc(n2)N)O)O)O
Chemical ID:
6045712
Name [?]:
1-(2-amino-4-hydroxy-pteridin-6-yl)propane-1,2-diol
SMILES [?]:
CC(C(c1cnc2c(n1)c(nc(n2)N)O)O)O
InChi [?]:
InChI=1/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,8,3,7,10,12,14,6,9,13,11,17,16,15/rA:17cCCCCCNCCNCNCNNOOO/rB:s1;s2;s3;s4;d5;s6;s7;d4s8;d8;s10;d11;d7s12;s12;s10;s3;s2;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11N5O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:5.71694
Area:404.04
Solvation:-4.38405
Coulombic:-89.5868
Bond Count [?]
All:18
Single:13
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:237.216
H-Bond Donors:5
H-Bond Acceptors:4
XLogP:-1.27
LogP (Chemaxon):-0.35

Name Annotations

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Descriptor Annotations

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