(Q82988582)

English

1-{5-O-[({[(11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]pentofuranosyl}-4-imino-1,4-dihydropyrimidin-2-ol

group of stereoisomers with the chemical formula C₃₀H₄₁N₃O₁₅P₂

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

745.2012908719998 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₁N₃O₁₅P₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=N)nc2O)C(O)C1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@]12C=CC(=O)C=C1CCC1C2[C@@H](O)C[C@@]2(C)C1CC[C@]2(O)C(=O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=N)nc2O)[C@@H](O)[C@@H]1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C30H41N3O15P2/c1-28-8-5-16(34)11-15(28)3-4-17-18-6-9-30(40,29(18,2)12-19(35)23(17)28)21(36)14-46-50(43,44)48-49(41,42)45-13-20-24(37)25(38)26(47-20)33-10-7-22(31)32-27(33)39/h5,7-8,10-11,17-20,23-26,35,37-38,40H,3-4,6,9,12-14H2,1-2H3,(H,41,42)(H,43,44)(H2,31,32,39)/t17?,18?,19-,20+,23?,24+,25-,26+,28-,29-,30-/m0/s1

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InChIKey

BHVHEUQEPAHXLE-DXCUYQCOSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID301423741

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(Q82988582)

1-{5-O-[({[(11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]pentofuranosyl}-4-imino-1,4-dihydropyrimidin-2-ol

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