(Q82987686)

English

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

chemical compound

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

667.2506104139999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₂N₃O₁₂P

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COP(=O)(O)OCC1OC(n2ccc(=N)nc2O)C(O)C1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COP(=O)(O)OCC1OC(n2ccc(=N)nc2O)C(O)C1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C30H42N3O12P/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)14-44-46(41,42)43-13-20-24(37)25(38)26(45-20)33-10-7-22(31)32-27(33)39/h7,10-11,17-20,23-26,35,37-38,40H,3-6,8-9,12-14H2,1-2H3,(H,41,42)(H2,31,32,39)/t17-,18-,19-,20?,23+,24?,25?,26?,28-,29-,30-/m0/s1

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InChIKey

PYRHNBFJHWMQSW-NTXUZSMHSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID301423060

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NSC number

321808

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(Q82987686)

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

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