Name: BDP 558/568 tetrazine
Rating: 5 (10 reviews)

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HIT ID:HIT219158809
Cas No:81552-36-5
常用名:BDP 558/568 tetrazine
IUPAC:(2S,3R,4R,6R)-6-[(1S,8S,10S,17S,18S,19R,21S)-17-{[(2S,4R,5S,6S)-5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-19-(dimethoxymethyl)-10,13-dihydroxy-6-methoxy-3-methyl-16,20,22-trioxaspiro[hexacyclo[17.2.1.0^{2,15}.0^{5,14}.0^{7,12}.0^{17,21}]docosane-18,2'-oxirane]-2(15),3,5,7(12),13-pentaen-11-oneoxy]-4-hydroxy-2,4-dimethyloxan-3-yl acetate
IUPAC:(2S,3R,4R,6R)-6-[(1S,8S,10S,17S,18S,19R,21S)-17-{[(2S,4R,5S,6S)-5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-19-(dimethoxymethyl)-10,13-dihydroxy-6-methoxy-3-methyl-16,20,22-trioxaspiro[hexacyclo[17.2.1.0^{2,15}.0^{5,14}.0^{7,12}.0^{17,21}]docosane-18,2'-oxirane]-2(15),3,5,7(12),13-pentaen-11-oneoxy]-4-hydroxy-2,4-dimethyloxan-3-yl acetate
InChI key:VVCYZYSLUSSELI-NVJOEFDOSA-N

分子式:C42H52O20
分子量:876.858
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12O[C@]3(O[C@]1([H])[C@@](O[C@H]1C[C@@H](O)[C@](O)([C@H](C)O1)C(C)=O)(Oc1c2c(C)cc2c(OC)c4[C@H](C[C@H](O)C(=O)c4c(O)c12)O[C@H]1C[C@@](C)(O)[C@H](OC(C)=O)[C@H](C)O1)[C@@]31CO1)C(OC)OC
SMILES:[H][C@@]12O[C@]3(O[C@]1([H])[C@@](O[C@H]1C[C@@H](O)[C@](O)([C@H](C)O1)C(C)=O)(Oc1c2c(C)cc2c(OC)c4[C@H](C[C@H](O)C(=O)c4c(O)c12)O[C@H]1C[C@@](C)(O)[C@H](OC(C)=O)[C@H](C)O1)[C@@]31CO1)C(OC)OC

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