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name Structure Reference Source Properties Activities Metabolism

N-[(1S,3R,4S,5R,7S,9S,10R,11R,13S,15S,16S,17R,19R,24R,25S,27S,28S,29R,30R,31R)-10,27-diacetamido-4,16,28,29,30-pentahydroxy-5,17-bis(hydroxymethyl)-11,25-dimethyl-21-oxo-2,6,8,12,14,18,20,22,23,26-decaoxa-21λ⁵-phosphapentacyclo[22.2.2.1³,⁷.1⁹,¹³.1¹⁵,¹⁹]he

AlkaPlorer ID: AK263300

Synonym: None

IUPAC Name: N-[(1S,3R,4S,5R,7S,9S,10R,11R,13S,15S,16S,17R,19R,24R,25S,27S,28S,29R,30R,31R)-27,31-diacetamido-4,16,28,29,30-pentahydroxy-5,17-bis(hydroxymethyl)-11,25-dimethyl-21-oxo-2,6,8,12,14,18,20,22,23,26-decaoxa-21-phosphoniapentacyclo[22.2.2.13,7.19,13.115,19]hentriacontan-10-yl]acetamide

Structure

SMILES: CC(O)=N[C@@H]1[C@@H]2O[C@H]3[C@H](O)[C@@H](CO)O[C@H](O[C@@H]4[C@@H](O)[C@H](O[C@H]5[C@@H](O)[C@@H](CO)O[C@H](O[PH](=O)OO[C@H]([C@H]1O)[C@H](C)O2)[C@@H]5O)O[C@H](C)[C@H]4N=C(C)O)[C@@H]3N=C(C)O

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InChI: InChI=1S/C30H50N3O21P/c1-8-15(31-10(3)36)24-21(42)29(45-8)51-26-19(40)14(7-35)48-30(22(26)43)53-55(44)54-52-23-9(2)46-27(16(20(23)41)32-11(4)37)50-25-17(33-12(5)38)28(49-24)47-13(6-34)18(25)39/h8-9,13-30,34-35,39-43,55H,6-7H2,1-5H3,(H,31,36)(H,32,37)(H,33,38)/t8-,9+,13-,14-,15-,16+,17-,18-,19+,20+,21-,22-,23+,24+,25-,26+,27+,28-,29+,30-/m1/s1

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InChIKey: RRWAALRGCKOCRG-ILCISPAVSA-N

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Properties Information

Molecule Weight: 819.7040000000002

TPSA？: 348.75

MolLogP？: -3.3577999999999824

Number of H-Donors: 10

Number of H-Acceptors: 21

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information