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Chemical ID: 3964526
Chemical ID:
3964526
Name [?]:
2-amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-pteridin-4-one
SMILES [?]:
CC(C(C1CNc2c(c(=O)nc([nH]2)N)N1)O)O
InChi [?]:
InChI=1/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,8,3,7,9,12,14,6,15,13,11,17,16,10/rA:17cCCCCCNCCCONCNNNOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;s9;d11;s7s12;s12;s4s8;s3;s2;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H15N5O3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 5.61914 |
Area: | 401.544 |
Solvation: | -4.41946 |
Coulombic: | -100.178 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 241.247 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 6 |
XLogP: | -1.33 |
LogP (Chemaxon): | -1.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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