(Q82600136)

English

Bisammonium 4-amino-1-{(2xi)-5-O-[({[(2R)-2,3-bis(hexadecanoyloxy)propoxy]phosphinato}oxy)phosphinato]-beta-D-threo-pentofuranosyl}pyrimidin-2(1H)-one

group of stereoisomers with the chemical formula C₄₄H₈₇N₅O₁₅P₂

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

987.5673903439999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₄H₈₇N₅O₁₅P₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)OCC1OC(n2ccc(=N)nc2O)C(O)C1O)OC(=O)CCCCCCCCCCCCCCC.N.N

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=N)nc2O)C(O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC.N.N

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C44H81N3O15P2.2H3N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(48)57-33-36(60-40(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-58-63(53,54)62-64(55,56)59-35-37-41(50)42(51)43(61-37)47-32-31-38(45)46-44(47)52;;/h31-32,36-37,41-43,50-51H,3-30,33-35H2,1-2H3,(H,53,54)(H,55,56)(H2,45,46,52);2*1H3/t36-,37-,41+,42?,43-;;/m1../s1

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InChIKey

IAUUMXARBJMHDT-LWJUINKDSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID40627932

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(Q82600136)

Bisammonium 4-amino-1-{(2xi)-5-O-[({[(2R)-2,3-bis(hexadecanoyloxy)propoxy]phosphinato}oxy)phosphinato]-beta-D-threo-pentofuranosyl}pyrimidin-2(1H)-one

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