Structure

InChI Key CZAKJJUNKNPTTO-AJFJRRQVSA-N
Smile Nc1nc2c(c(=O)[nH]1)N[C@@H]1[C@H](N2)O[C@@H]2COP(=O)(O)O[C@@H]2C1(O)O
InChI
InChI=1S/C10H14N5O8P/c11-9-14-6-3(7(16)15-9)12-4-8(13-6)22-2-1-21-24(19,20)23-5(2)10(4,17)18/h2,4-5,8,12,17-18H,1H2,(H,19,20)(H4,11,13,14,15,16)/t2-,4-,5+,8-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H14N5O8P
Molecular Weight 363.22
AlogP -2.52
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 0.0
Polar Surface Area 201.28
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 24.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 60210
ChEMBL CHEMBL2338675
FDA SRS 4X7K2681Y7
Human Metabolome Database HMDB0059639
KEGG C18239
SureChEMBL SCHEMBL16156371
ZINC ZINC000034962340