[[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

C100H144N48O100P24S4 — CID 160765945

IUPAC[[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SMILESC#CC1(N)[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21.C#CC1(N)[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(=S)nc(N)[nH]c21.C#CC1(N)[C@@H](O)[C@@H]([C@@H](C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21.C#CC1(N)[C@@H](O)[C@@H]([C@@H](C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(=S)nc(N)[nH]c21.C#CC1(N)[C@@H](O)[C@@H]([C@H](C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21.C#CC1(N)[C@@H](O)[C@@H]([C@H](C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(=S)nc(N)[nH]c21.[2H]C([2H])(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(N)(C#C)[C@H]1O.[2H]C([2H])(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O[C@@H](n2cnc3c(=S)nc(N)[nH]c32)C(N)(C#C)[C@H]1O
InChIInChI=1S/2C13H19N6O13P3.2C13H19N6O12P3S.2C12H17N6O13P3.2C12H17N6O12P3S/c2*1-3-13(15)8(20)7(5(2)30-34(25,26)32-35(27,28)31-33(22,23)24)29-11(13)19-4-16-6-9(19)17-12(14)18-10(6)21;2*1-3-13(15)8(20)7(5(2)29-33(24,25)31-34(26,27)30-32(21,22)23)28-11(13)19-4-16-6-9(19)17-12(14)18-10(6)35;2*1-2-12(14)7(19)5(3-28-33(24,25)31-34(26,27)30-32(21,22)23)29-10(12)18-4-15-6-8(18)16-11(13)17-9(6)20;2*1-2-12(14)7(19)5(3-27-32(23,24)30-33(25,26)29-31(20,21)22)28-10(12)18-4-15-6-8(18)16-11(13)17-9(6)34/h2*1,4-5,7-8,11,20H,15H2,2H3,(H,25,26)(H,27,28)(H2,22,23,24)(H3,14,17,18,21);2*1,4-5,7-8,11,20H,15H2,2H3,(H,24,25)(H,26,27)(H2,21,22,23)(H3,14,17,18,35);2*1,4-5,7,10,19H,3,14H2,(H,24,25)(H,26,27)(H2,21,22,23)(H3,13,16,17,20);2*1,4-5,7,10,19H,3,14H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,13,16,17,34)/t5-,7+,8-,11+,13?;5-,7-,8+,11-,13?;5-,7+,8-,11+,13?;5-,7-,8+,11-,13?;4*5-,7+,10-,12?/m01011111/s1/i;;;;3D2;;3D2;
InChIKeyRYRMIDPBYMDGEK-HCVBUEQMSA-N
MW4494.16 g/mol
LogP-11.90
Rot. Bonds64

About [[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

[[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate (PubChem CID 160765945) has the molecular formula C100H144N48O100P24S4 and a molecular weight of 4494.16 g/mol. Its IUPAC name is [[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.

Molecular Properties

Compound Name[[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
PubChem CID160765945
Molecular FormulaC100H144N48O100P24S4
Molecular Weight4494.16 g/mol
Exact Mass4492.05
IUPAC Name[[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SMILESC#CC1(N)[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21.C#CC1(N)[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(=S)nc(N)[nH]c21.C#CC1(N)[C@@H](O)[C@@H]([C@@H](C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21.C#CC1(N)[C@@H](O)[C@@H]([C@@H](C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(=S)nc(N)[nH]c21.C#CC1(N)[C@@H](O)[C@@H]([C@H](C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21.C#CC1(N)[C@@H](O)[C@@H]([C@H](C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(=S)nc(N)[nH]c21.[2H]C([2H])(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(N)(C#C)[C@H]1O.[2H]C([2H])(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O[C@@H](n2cnc3c(=S)nc(N)[nH]c32)C(N)(C#C)[C@H]1O
InChIInChI=1S/2C13H19N6O13P3.2C13H19N6O12P3S.2C12H17N6O13P3.2C12H17N6O12P3S/c2*1-3-13(15)8(20)7(5(2)30-34(25,26)32-35(27,28)31-33(22,23)24)29-11(13)19-4-16-6-9(19)17-12(14)18-10(6)21;2*1-3-13(15)8(20)7(5(2)29-33(24,25)31-34(26,27)30-32(21,22)23)28-11(13)19-4-16-6-9(19)17-12(14)18-10(6)35;2*1-2-12(14)7(19)5(3-28-33(24,25)31-34(26,27)30-32(21,22)23)29-10(12)18-4-15-6-8(18)16-11(13)17-9(6)20;2*1-2-12(14)7(19)5(3-27-32(23,24)30-33(25,26)29-31(20,21)22)28-10(12)18-4-15-6-8(18)16-11(13)17-9(6)34/h2*1,4-5,7-8,11,20H,15H2,2H3,(H,25,26)(H,27,28)(H2,22,23,24)(H3,14,17,18,21);2*1,4-5,7-8,11,20H,15H2,2H3,(H,24,25)(H,26,27)(H2,21,22,23)(H3,14,17,18,35);2*1,4-5,7,10,19H,3,14H2,(H,24,25)(H,26,27)(H2,21,22,23)(H3,13,16,17,20);2*1,4-5,7,10,19H,3,14H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,13,16,17,34)/t5-,7+,8-,11+,13?;5-,7-,8+,11-,13?;5-,7+,8-,11+,13?;5-,7-,8+,11-,13?;4*5-,7+,10-,12?/m01011111/s1/i;;;;3D2;;3D2;
InChIKeyRYRMIDPBYMDGEK-HCVBUEQMSA-N
XLogP-11.90
TPSA2370.84 Ų
H-Bond Donors64
H-Bond Acceptors112
Rotatable Bonds64
Heavy Atoms276
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004494.16
LogP ≤ 5-11.90
H-Bond Donors ≤ 564
H-Bond Acceptors ≤ 10112

Analyze [[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate with MolForge

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Launch Full Analysis

Related Compounds

[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-chloro-3-hydroxy-4-prop-1-ynyloxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-chloro-3-hydroxy-4-prop-1-ynyloxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-chloro-3-hydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3S,5R)-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-chloro-3-hydroxy-4-prop-1-ynyloxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3S,5R)-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-chloro-3-hydroxy-4-prop-1-ynyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 162021444
[[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-(deuteriomethyl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 142710394
[[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;hydrate
CID 141260308
[[(1S)-1-[(2S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-chloro-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 137177707
[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-azido-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 136644671
[[(1S)-1-[(2S,3S,5R)-4-ethynyl-3,4-dihydroxy-5-(2-methyl-6-oxo-1H-purin-9-yl)oxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 163620348
[[(2R,3R,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-fluoro-4-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 159107752
[[5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 137022529
[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy(2,3,4,5-13C4)oxolan-2-yl](113C)methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 169493975
[(2R,3S,4R)-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
CID 3035439
[[(3R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 171699498
[[(3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 137226754

Frequently Asked Questions

What is the IUPAC name of [[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?
The IUPAC name of [[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate (CID 160765945) is [[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate.
What is the SMILES notation for [[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?
The canonical SMILES for [[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate is C#CC1(N)[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21.C#CC1(N)[C@@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(=S)nc(N)[nH]c21.C#CC1(N)[C@@H](O)[C@@H]([C@@H](C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21.C#CC1(N)[C@@H](O)[C@@H]([C@@H](C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(=S)nc(N)[nH]c21.C#CC1(N)[C@@H](O)[C@@H]([C@H](C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21.C#CC1(N)[C@@H](O)[C@@H]([C@H](C)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(=S)nc(N)[nH]c21.[2H]C([2H])(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(N)(C#C)[C@H]1O.[2H]C([2H])(OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O[C@@H](n2cnc3c(=S)nc(N)[nH]c32)C(N)(C#C)[C@H]1O.
What is the InChIKey of [[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?
The InChIKey is RYRMIDPBYMDGEK-HCVBUEQMSA-N. The full InChI is InChI=1S/2C13H19N6O13P3.2C13H19N6O12P3S.2C12H17N6O13P3.2C12H17N6O12P3S/c2*1-3-13(15)8(20)7(5(2)30-34(25,26)32-35(27,28)31-33(22,23)24)29-11(13)19-4-16-6-9(19)17-12(14)18-10(6)21;2*1-3-13(15)8(20)7(5(2)29-33(24,25)31-34(26,27)30-32(21,22)23)28-11(13)19-4-16-6-9(19)17-12(14)18-10(6)35;2*1-2-12(14)7(19)5(3-28-33(24,25)31-34(26,27)30-32(21,22)23)29-10(12)18-4-15-6-8(18)16-11(13)17-9(6)20;2*1-2-12(14)7(19)5(3-27-32(23,24)30-33(25,26)29-31(20,21)22)28-10(12)18-4-15-6-8(18)16-11(13)17-9(6)34/h2*1,4-5,7-8,11,20H,15H2,2H3,(H,25,26)(H,27,28)(H2,22,23,24)(H3,14,17,18,21);2*1,4-5,7-8,11,20H,15H2,2H3,(H,24,25)(H,26,27)(H2,21,22,23)(H3,14,17,18,35);2*1,4-5,7,10,19H,3,14H2,(H,24,25)(H,26,27)(H2,21,22,23)(H3,13,16,17,20);2*1,4-5,7,10,19H,3,14H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,13,16,17,34)/t5-,7+,8-,11+,13?;5-,7-,8+,11-,13?;5-,7+,8-,11+,13?;5-,7-,8+,11-,13?;4*5-,7+,10-,12?/m01011111/s1/i;;;;3D2;;3D2;.
What are the key properties of [[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate?
[[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate has a molecular weight of 4494.16 g/mol, XLogP of -11.90, 64 rotatable bonds, 64 hydrogen bond donors, and 112 hydrogen bond acceptors.
Where does this data come from?
All data for [[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-oxo-1H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]-dideuteriomethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1S)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(1R)-1-[(2S,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]ethoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate;[[(2R,3R,5R)-4-amino-5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-4-ethynyl-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate is sourced from PubChem (CID 160765945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).