[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy[(2S,3R)-2-[(1R,2R,5S,7R,11S,14R,15R)-5,11-dihydroxy-2,15-dimethyl-8-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-9-en-14-yl]-6-hydroxy-6-methylheptan-3-yl]oxyphosphinic acid
AlkaPlorer ID: AK238029
Synonym: None
IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2S,3R)-2-[(3S,5R,9R,10R,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-6-methylheptan-3-yl] hydrogen phosphate
Structure
SMILES: C[C@@H]([C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@@H](CCC(C)(C)O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O
InChI: InChI=1S/C37H56N5O11P/c1-19(21-8-13-37(48)23-15-25(44)24-14-20(43)6-11-35(24,4)22(23)7-12-36(21,37)5)26(9-10-34(2,3)47)53-54(49,50)51-16-27-29(45)30(46)33(52-27)42-18-41-28-31(38)39-17-40-32(28)42/h15,17-22,24,26-27,29-30,33,43,45-48H,6-14,16H2,1-5H3,(H,49,50)(H2,38,39,40)/t19-,20-,21+,22-,24-,26+,27+,29+,30+,33+,35+,36+,37+/m0/s1
InChIKey: UQJHEPIKTHIJFC-BSQDPGHISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Locusta migratoria | Locusta | Acrididae | Orthoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 777.8530000000001
TPSA？: 252.83
MolLogP？: 2.950900000000001
Number of H-Donors: 7
Number of H-Acceptors: 15
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|