Chemical ID: 6045431

Cc1c(=O)n(c2c(n1)c(ncn2)N)C3CC(C(O3)CO)O
Chemical ID:
6045431
Name [?]:
4-amino-8-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methyl-pteridin-7-one
SMILES [?]:
Cc1c(=O)n(c2c(n1)c(ncn2)N)C3CC(C(O3)CO)O
InChi [?]:
InChI=1/C12H15N5O4/c1-5-12(20)17(8-2-6(19)7(3-18)21-8)11-9(16-5)10(13)14-4-15-11/h4,6-8,18-19H,2-3H2,1H3,(H2,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,15,19,11,2,16,17,14,7,9,6,3,13,10,12,8,5,20,21,4,18/rA:21cCCCONCCNCNCNNCCCCOCOO/rB:s1;s2;d3;s3;s5;s6;d2s7;d7;s9;d10;d6s11;s9;s5;s14;s15;s16;s14s17;s17;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15N5O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:3
ZAP Information [?]
Total:5.95633
Area:449.917
Solvation:-5.29159
Coulombic:-90.3601
Bond Count [?]
All:23
Single:18
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:293.279
H-Bond Donors:4
H-Bond Acceptors:5
XLogP:-1.77
LogP (Chemaxon):-0.86

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