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name Structure Reference Source Properties Activities Metabolism

(1R,3R,7S,8R,9R)-5-(2-{[(2R)-2,3-dihydroxypropyl phosphonato]oxy}ethyl)-9-isopropyl-1-methyl-2-methylidene-5-azatricyclo[5.4.0.0³,⁸]undecan-5-ium

AlkaPlorer ID: AK030712

Synonym: None

IUPAC Name: [(2R)-2,3-dihydroxypropyl] 2-[(1R,3R,7S,8R,9R)-1-methyl-2-methylidene-9-propan-2-yl-5-azatricyclo[5.4.0.03,8]undecan-5-yl]ethyl hydrogen phosphate

Structure

SMILES: C=C1[C@@H]2CN(CCOP(=O)(O)OC[C@H](O)CO)C[C@H]3[C@@H]2[C@@H](C(C)C)CC[C@@]13C

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InChI: InChI=1S/C20H36NO6P/c1-13(2)16-5-6-20(4)14(3)17-9-21(10-18(20)19(16)17)7-8-26-28(24,25)27-12-15(23)11-22/h13,15-19,22-23H,3,5-12H2,1-2,4H3,(H,24,25)/t15-,16-,17+,18+,19-,20+/m1/s1

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InChIKey: FMUUEXPZVSOMDJ-JWLCQNFESA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Bipolaris victoriae Bipolaris Pleosporaceae Pleosporales Dothideomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 417.4830000000002

TPSA？: 99.46

MolLogP？: 2.2795

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information