GUADECITABINE

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Synonyms
Status
Molecule Category Free-form
UNII 2KT4YN1DP7

Structure

InChI Key GUWXKKAWLCENJA-WGWHJZDNSA-N
Smiles Nc1ncn([C@H]2C[C@H](OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O)[C@@H](CO)O2)c(=O)n1
InChI
InChI=1S/C18H24N9O10P/c19-16-22-6-27(18(31)25-16)12-2-8(9(3-28)35-12)37-38(32,33)34-4-10-7(29)1-11(36-10)26-5-21-13-14(26)23-17(20)24-15(13)30/h5-12,28-29H,1-4H2,(H,32,33)(H2,19,25,31)(H3,20,23,24,30)/t7-,8-,9+,10+,11+,12+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H24N9O10P
Molecular Weight 557.42
AlogP -2.63
Hydrogen Bond Acceptor 17.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 8.0
Polar Surface Area 278.07
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 38.0

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL3544916
DrugBank DB11918
FDA SRS 2KT4YN1DP7
PubChem 135564655
SureChEMBL SCHEMBL20581350
ZINC ZINC000043203165
CONTENTS