[[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,4S)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

C65H91Cl6N21O84P18 — CID 158450971

About [[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,4S)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

[[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,4S)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate (PubChem CID 158450971) has the molecular formula C65H91Cl6N21O84P18 and a molecular weight of 3284.78 g/mol. Its IUPAC name is [[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,4S)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.

Molecular Properties

• Compound Name: [[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,4S)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
• PubChem CID: 158450971
• Molecular Formula: C65H91Cl6N21O84P18
• Molecular Weight: 3284.78 g/mol
• Exact Mass: 3280.72
• IUPAC Name: [[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,4S)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
• SMILES: C[C@H](OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1OC(n2cnc(=O)[nH]c2=O)[C@](Cl)(C#CN)[C@H]1O.C[C@H](OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(Cl)(C#CN)[C@H]1O.NC#CC1(Cl)[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=O.NC#CC1(Cl)[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc(=O)[nH]c1=O.[2H]C([2H])(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(Cl)(C#CN)[C@H]1O.[2H]C([2H])(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O[C@@H](n2cnc(=O)[nH]c2=O)C(Cl)(C#CN)[C@H]1O
• InChI: InChI=1S/C12H17ClN3O14P3.C11H16ClN4O14P3.2C11H15ClN3O14P3.2C10H14ClN4O14P3/c1-6(28-32(23,24)30-33(25,26)29-31(20,21)22)8-9(18)12(13,3-4-14)10(27-8)16-5-2-7(17)15-11(16)19;1-5(28-32(23,24)30-33(25,26)29-31(20,21)22)6-7(17)11(12,2-3-13)8(27-6)16-4-14-9(18)15-10(16)19;2*12-11(2-3-13)8(17)6(27-9(11)15-4-1-7(16)14-10(15)18)5-26-31(22,23)29-32(24,25)28-30(19,20)21;2*11-10(1-2-12)6(16)5(27-7(10)15-4-13-8(17)14-9(15)18)3-26-31(22,23)29-32(24,25)28-30(19,20)21/h2,5-6,8-10,18H,14H2,1H3,(H,23,24)(H,25,26)(H,15,17,19)(H2,20,21,22);4-8,17H,13H2,1H3,(H,23,24)(H,25,26)(H,15,18,19)(H2,20,21,22);2*1,4,6,8-9,17H,5,13H2,(H,22,23)(H,24,25)(H,14,16,18)(H2,19,20,21);2*4-7,16H,3,12H2,(H,22,23)(H,24,25)(H,14,17,18)(H2,19,20,21)/t6-,8+,9-,10+,12?;5-,6+,7-,8?,11-;2*6-,8+,9-,11?;2*5-,6+,7-,10?/m001111/s1/i;;5D2;;3D2
• InChIKey: HDYZSUVTLWCRAJ-RSNHAKFTSA-N
• XLogP: -12.83
• TPSA: 1659.63 Ų
• H-Bond Donors: 42
• H-Bond Acceptors: 75
• Rotatable Bonds: 48
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3284.78
LogP ≤ 5	-12.83
H-Bond Donors ≤ 5	42
H-Bond Acceptors ≤ 10	75

Frequently Asked Questions

What is the IUPAC name of [[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,4S)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?

The IUPAC name of [[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,4S)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate (CID 158450971) is [[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,4S)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.

What is the SMILES notation for [[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,4S)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?

The canonical SMILES for [[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,4S)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate is C[C@H](OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1OC(n2cnc(=O)[nH]c2=O)[C@](Cl)(C#CN)[C@H]1O.C[C@H](OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(Cl)(C#CN)[C@H]1O.NC#CC1(Cl)[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=O.NC#CC1(Cl)[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc(=O)[nH]c1=O.[2H]C([2H])(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C(Cl)(C#CN)[C@H]1O.[2H]C([2H])(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O[C@@H](n2cnc(=O)[nH]c2=O)C(Cl)(C#CN)[C@H]1O.

What is the InChIKey of [[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,4S)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?

The InChIKey is HDYZSUVTLWCRAJ-RSNHAKFTSA-N. The full InChI is InChI=1S/C12H17ClN3O14P3.C11H16ClN4O14P3.2C11H15ClN3O14P3.2C10H14ClN4O14P3/c1-6(28-32(23,24)30-33(25,26)29-31(20,21)22)8-9(18)12(13,3-4-14)10(27-8)16-5-2-7(17)15-11(16)19;1-5(28-32(23,24)30-33(25,26)29-31(20,21)22)6-7(17)11(12,2-3-13)8(27-6)16-4-14-9(18)15-10(16)19;2*12-11(2-3-13)8(17)6(27-9(11)15-4-1-7(16)14-10(15)18)5-26-31(22,23)29-32(24,25)28-30(19,20)21;2*11-10(1-2-12)6(16)5(27-7(10)15-4-13-8(17)14-9(15)18)3-26-31(22,23)29-32(24,25)28-30(19,20)21/h2,5-6,8-10,18H,14H2,1H3,(H,23,24)(H,25,26)(H,15,17,19)(H2,20,21,22);4-8,17H,13H2,1H3,(H,23,24)(H,25,26)(H,15,18,19)(H2,20,21,22);2*1,4,6,8-9,17H,5,13H2,(H,22,23)(H,24,25)(H,14,16,18)(H2,19,20,21);2*4-7,16H,3,12H2,(H,22,23)(H,24,25)(H,14,17,18)(H2,19,20,21)/t6-,8+,9-,10+,12?;5-,6+,7-,8?,11-;2*6-,8+,9-,11?;2*5-,6+,7-,10?/m001111/s1/i;;5D2;;3D2;.

What are the key properties of [[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,4S)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?

[[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,4S)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate has a molecular weight of 3284.78 g/mol, XLogP of -12.83, 48 rotatable bonds, 42 hydrogen bond donors, and 75 hydrogen bond acceptors.

Where does this data come from?

All data for [[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,4S)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-4-(2-aminoethynyl)-4-chloro-5-(2,4-dioxo-1,3,5-triazin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate is sourced from PubChem (CID 158450971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).