Sodium (1R,2R,3S,4R,5R,6S)-4-((((R)-2,3-Bis((octanoyl-d15)oxy)propoxy)(hydroxy)phosphoryl)oxy)-3,5,6-trihydroxycyclohexane-1,2-diyl Bis(phosphate)

Analyte Name

Sodium (1R,2R,3S,4R,5R,6S)-4-((((R)-2,3-Bis((octanoyl-d15)oxy)propoxy)(hydroxy)phosphoryl)oxy)-3,5,6-trihydroxycyclohexane-1,2-diyl Bis(phosphate)

Molecular Formula

C25 D30 H15 Na4 O19 P3

Molecular Weight

864.679

Accurate Mass

864.324

SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)(O[Na])O[Na])[C@H](OP(=O)(O[Na])O[Na])[C@H]1O)OC(=O)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]

InChI

InChI=1S/C25H49O19P3.4Na/c1-3-5-7-9-11-13-18(26)39-15-17(41-19(27)14-12-10-8-6-4-2)16-40-47(37,38)44-23-20(28)21(29)24(42-45(31,32)33)25(22(23)30)43-46(34,35)36;;;;/h17,20-25,28-30H,3-16H2,1-2H3,(H,37,38)(H2,31,32,33)(H2,34,35,36);;;;/q;4*+1/p-4/t17-,20-,21+,22+,23-,24-,25-;;;;/m1..../s1/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2;;;;

IUPAC

[[(1R,2R,3S,4R,5R,6S)-4-[[(2R)-2,3-bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecadeuteriooctanoyloxy)propoxy]-hydroxyphosphoryl]oxy-2-disodiooxyphosphoryloxy-3,5,6-trihydroxycyclohexyl]oxy-sodiooxyphosphoryl]oxysodium

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat