1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]pyridin-1-ium-3-carboxylic acid;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoylpyridin-1-ium-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoyl-4H-pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]pyridin-1-ium-3-carboxylic acid;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoylpyridin-1-ium-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoyl-4H-pyridin-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

C180H244N22O72P6+4 — CID 163982086

IUPAC1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]pyridin-1-ium-3-carboxylic acid;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoylpyridin-1-ium-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoyl-4H-pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]pyridin-1-ium-3-carboxylic acid;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoylpyridin-1-ium-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoyl-4H-pyridin-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
SMILESCC(C)[C@H](N)C(=O)O[C@@H]1[C@H](OC(=O)[C@@H](N)C(C)C)[C@@H](CO)O[C@H]1N1C=CCC(C(N)=O)=C1.CC(C)[C@H](N)C(=O)O[C@@H]1[C@H](OC(=O)[C@@H](N)C(C)C)[C@@H](CO)O[C@H]1[n+]1cccc(C(N)=O)c1.COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](N2C=CCC(C(=O)O)=C2)[C@H](O)[C@@H]1O)Oc1ccccc1.COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](N2C=CCC(C(=O)O)=C2)[C@H](OC(C)=O)[C@@H]1C)Oc1ccccc1.COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](N2C=CCC(C(N)=O)=C2)[C@H](OC(C)=O)[C@@H]1C)Oc1ccccc1.COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H]([n+]2cccc(C(=O)O)c2)[C@H](O)[C@@H]1O)Oc1ccccc1.COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H]([n+]2cccc(C(=O)O)c2)[C@H](OC(C)=O)[C@@H]1C)Oc1ccccc1.COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H]([n+]2cccc(C(N)=O)c2)[C@H](OC(C)=O)[C@@H]1C)Oc1ccccc1
InChIInChI=1S/C24H32N3O9P.C24H30N3O9P.C24H31N2O10P.C24H29N2O10P.C21H34N4O7.C21H32N4O7.C21H27N2O10P.C21H25N2O10P/c2*1-15-20(35-23(21(15)34-17(3)28)27-12-8-9-18(13-27)22(25)29)14-33-37(31,26-16(2)24(30)32-4)36-19-10-6-5-7-11-19;2*1-15-20(35-22(21(15)34-17(3)27)26-12-8-9-18(13-26)23(28)29)14-33-37(31,25-16(2)24(30)32-4)36-19-10-6-5-7-11-19;2*1-10(2)14(22)20(28)31-16-13(9-26)30-19(17(16)32-21(29)15(23)11(3)4)25-7-5-6-12(8-25)18(24)27;2*1-13(21(28)30-2)22-34(29,33-15-8-4-3-5-9-15)31-12-16-17(24)18(25)19(32-16)23-10-6-7-14(11-23)20(26)27/h5-8,10-13,15-16,20-21,23H,9,14H2,1-4H3,(H2,25,29)(H,26,31);5-13,15-16,20-21,23H,14H2,1-4H3,(H2-,25,26,29,31);5-8,10-13,15-16,20-22H,9,14H2,1-4H3,(H,25,31)(H,28,29);5-13,15-16,20-22H,14H2,1-4H3,(H-,25,28,29,31);5,7-8,10-11,13-17,19,26H,6,9,22-23H2,1-4H3,(H2,24,27);5-8,10-11,13-17,19,26H,9,22-23H2,1-4H3,(H-,24,27);3-6,8-11,13,16-19,24-25H,7,12H2,1-2H3,(H,22,29)(H,26,27);3-11,13,16-19,24-25H,12H2,1-2H3,(H-,22,26,27,29)/p+4/t2*15-,16+,20-,21-,23-,37?;2*15-,16+,20-,21-,22-,37?;2*13-,14+,15+,16-,17-,19-;2*13-,16+,17+,18+,19+,34?/m11111100/s1
InChIKeySZHFJIAKUGMRFQ-CGHUYTTDSA-R
MW4053.86 g/mol
LogP8.89
Rot. Bonds82

About 1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]pyridin-1-ium-3-carboxylic acid;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoylpyridin-1-ium-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoyl-4H-pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]pyridin-1-ium-3-carboxylic acid;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoylpyridin-1-ium-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoyl-4H-pyridin-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]pyridin-1-ium-3-carboxylic acid;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoylpyridin-1-ium-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoyl-4H-pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]pyridin-1-ium-3-carboxylic acid;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoylpyridin-1-ium-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoyl-4H-pyridin-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate (PubChem CID 163982086) has the molecular formula C180H244N22O72P6+4 and a molecular weight of 4053.86 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]pyridin-1-ium-3-carboxylic acid;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoylpyridin-1-ium-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoyl-4H-pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]pyridin-1-ium-3-carboxylic acid;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoylpyridin-1-ium-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoyl-4H-pyridin-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate.

Molecular Properties

Compound Name1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]pyridin-1-ium-3-carboxylic acid;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoylpyridin-1-ium-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoyl-4H-pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]pyridin-1-ium-3-carboxylic acid;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoylpyridin-1-ium-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoyl-4H-pyridin-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
PubChem CID163982086
Molecular FormulaC180H244N22O72P6+4
Molecular Weight4053.86 g/mol
Exact Mass4051.45
IUPAC Name1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]pyridin-1-ium-3-carboxylic acid;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoylpyridin-1-ium-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoyl-4H-pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]pyridin-1-ium-3-carboxylic acid;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoylpyridin-1-ium-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoyl-4H-pyridin-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
SMILESCC(C)[C@H](N)C(=O)O[C@@H]1[C@H](OC(=O)[C@@H](N)C(C)C)[C@@H](CO)O[C@H]1N1C=CCC(C(N)=O)=C1.CC(C)[C@H](N)C(=O)O[C@@H]1[C@H](OC(=O)[C@@H](N)C(C)C)[C@@H](CO)O[C@H]1[n+]1cccc(C(N)=O)c1.COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](N2C=CCC(C(=O)O)=C2)[C@H](O)[C@@H]1O)Oc1ccccc1.COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](N2C=CCC(C(=O)O)=C2)[C@H](OC(C)=O)[C@@H]1C)Oc1ccccc1.COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](N2C=CCC(C(N)=O)=C2)[C@H](OC(C)=O)[C@@H]1C)Oc1ccccc1.COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H]([n+]2cccc(C(=O)O)c2)[C@H](O)[C@@H]1O)Oc1ccccc1.COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H]([n+]2cccc(C(=O)O)c2)[C@H](OC(C)=O)[C@@H]1C)Oc1ccccc1.COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H]([n+]2cccc(C(N)=O)c2)[C@H](OC(C)=O)[C@@H]1C)Oc1ccccc1
InChIInChI=1S/C24H32N3O9P.C24H30N3O9P.C24H31N2O10P.C24H29N2O10P.C21H34N4O7.C21H32N4O7.C21H27N2O10P.C21H25N2O10P/c2*1-15-20(35-23(21(15)34-17(3)28)27-12-8-9-18(13-27)22(25)29)14-33-37(31,26-16(2)24(30)32-4)36-19-10-6-5-7-11-19;2*1-15-20(35-22(21(15)34-17(3)27)26-12-8-9-18(13-26)23(28)29)14-33-37(31,25-16(2)24(30)32-4)36-19-10-6-5-7-11-19;2*1-10(2)14(22)20(28)31-16-13(9-26)30-19(17(16)32-21(29)15(23)11(3)4)25-7-5-6-12(8-25)18(24)27;2*1-13(21(28)30-2)22-34(29,33-15-8-4-3-5-9-15)31-12-16-17(24)18(25)19(32-16)23-10-6-7-14(11-23)20(26)27/h5-8,10-13,15-16,20-21,23H,9,14H2,1-4H3,(H2,25,29)(H,26,31);5-13,15-16,20-21,23H,14H2,1-4H3,(H2-,25,26,29,31);5-8,10-13,15-16,20-22H,9,14H2,1-4H3,(H,25,31)(H,28,29);5-13,15-16,20-22H,14H2,1-4H3,(H-,25,28,29,31);5,7-8,10-11,13-17,19,26H,6,9,22-23H2,1-4H3,(H2,24,27);5-8,10-11,13-17,19,26H,9,22-23H2,1-4H3,(H-,24,27);3-6,8-11,13,16-19,24-25H,7,12H2,1-2H3,(H,22,29)(H,26,27);3-11,13,16-19,24-25H,12H2,1-2H3,(H-,22,26,27,29)/p+4/t2*15-,16+,20-,21-,23-,37?;2*15-,16+,20-,21-,22-,37?;2*13-,14+,15+,16-,17-,19-;2*13-,16+,17+,18+,19+,34?/m11111100/s1
InChIKeySZHFJIAKUGMRFQ-CGHUYTTDSA-R
XLogP8.89
TPSA1302.90 Ų
H-Bond Donors24
H-Bond Acceptors76
Rotatable Bonds82
Heavy Atoms280
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004053.86
LogP ≤ 58.89
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1076

Analyze 1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]pyridin-1-ium-3-carboxylic acid;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoylpyridin-1-ium-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoyl-4H-pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]pyridin-1-ium-3-carboxylic acid;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoylpyridin-1-ium-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoyl-4H-pyridin-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate with MolForge

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Related Compounds

1-[(2R,3R,4R,5S)-3-acetyloxy-4-methyl-5-[[[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4S,5S)-3,4-bis(ethenyl)-5-[[[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4S,5S)-3,4-bis(ethenyl)-5-[[[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]pyridin-1-ium-3-carboxylic acid;1-[(2R,3R,4S,5R)-5-[bis(propan-2-ylamino)phosphoryloxymethyl]-3,4-dihydroxyoxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4S,5R)-5-[bis(propan-2-ylamino)phosphoryloxymethyl]-3,4-dihydroxyoxolan-2-yl]pyridin-1-ium-3-carboxylic acid;tetrakis(carbon dioxide);propan-2-yl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoylpyridin-1-ium-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoyl-4H-pyridin-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-bis(ethenyl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2S,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-bis(ethenyl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 157417242
1-[(2R,3R,4R,5S)-3-acetyloxy-5-[bis(propan-2-ylamino)phosphoryloxymethyl]-4-methyloxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4R,5S)-3-acetyloxy-5-[bis(propan-2-ylamino)phosphoryloxymethyl]-4-methyloxolan-2-yl]pyridin-1-ium-3-carboxylic acid;1-[(2R,3R,4S,5S)-5-[bis(propan-2-ylamino)phosphoryloxymethyl]-3,4-bis(ethenyl)oxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4S,5S)-5-[bis(propan-2-ylamino)phosphoryloxymethyl]-3,4-bis(ethenyl)oxolan-2-yl]pyridin-1-ium-3-carboxylic acid;[(2R,3R,4R,5S)-5-[bis(propan-2-ylamino)phosphoryloxymethyl]-2-(3-carbamoylpyridin-1-ium-1-yl)-4-methyloxolan-3-yl] acetate;[(2R,3R,4R,5S)-5-[bis(propan-2-ylamino)phosphoryloxymethyl]-2-(3-carbamoyl-4H-pyridin-1-yl)-4-methyloxolan-3-yl] acetate;1-[(2R,3R,4S,5R)-5-[bis(propan-2-ylamino)phosphoryloxymethyl]-3,4-dihydroxyoxolan-2-yl]-4H-pyridine-3-carboxamide;1-[(2R,3R,4S,5R)-5-[bis(propan-2-ylamino)phosphoryloxymethyl]-3,4-dihydroxyoxolan-2-yl]pyridin-1-ium-3-carboxamide;hexadecakis(carbon dioxide)
CID 161258668
4-[[(2S,3R,5R)-4-acetyloxy-5-(3-carbamoylpyridin-1-ium-1-yl)-3-methyloxolan-2-yl]methoxy]-4-oxobutanoic acid;4-O-[[(2S,3R,5R)-4-acetyloxy-5-(3-carbamoylpyridin-1-ium-1-yl)-3-methyloxolan-2-yl]methyl] 1-O-methyl butanedioate;1-O-[[(2S,3R,5R)-4-acetyloxy-5-(3-carbamoylpyridin-1-ium-1-yl)-3-methyloxolan-2-yl]methyl] 4-O-pentan-3-yl butanedioate;4-[[(2S,3R,5R)-4-acetyloxy-5-(3-carbamoyl-4H-pyridin-1-yl)-3-methyloxolan-2-yl]methoxy]-4-oxobutanoic acid;4-O-[[(2S,3R,5R)-4-acetyloxy-5-(3-carbamoyl-4H-pyridin-1-yl)-3-methyloxolan-2-yl]methyl] 1-O-methyl butanedioate;1-[(2R,4R,5S)-3-acetyloxy-5-(3-carboxypropanoyloxymethyl)-4-methyloxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,4R,5S)-3-acetyloxy-5-(3-carboxypropanoyloxymethyl)-4-methyloxolan-2-yl]pyridin-1-ium-3-carboxylic acid;1-[(2R,4R,5S)-3-acetyloxy-5-[(4-methoxy-4-oxobutanoyl)oxymethyl]-4-methyloxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,4R,5S)-3-acetyloxy-5-[(4-methoxy-4-oxobutanoyl)oxymethyl]-4-methyloxolan-2-yl]pyridin-1-ium-3-carboxylic acid;1-[(2R,4R,5S)-3-acetyloxy-4-methyl-5-[(4-oxo-4-pentan-3-yloxybutanoyl)oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,4R,5S)-3-acetyloxy-4-methyl-5-[(4-oxo-4-pentan-3-yloxybutanoyl)oxymethyl]oxolan-2-yl]pyridin-1-ium-3-carboxylic acid;1-O-[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl] 4-O-pentan-3-yl butanedioate;1-O-[[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl] 4-O-pentan-3-yl butanedioate;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(4-oxo-4-pentan-3-yloxybutanoyl)oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid
CID 158730564
(3S)-4-[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoylpyridin-1-ium-1-yl)-3-methyloxolan-2-yl]methoxy]-3-hydroxy-4-oxobutanoic acid;(3S)-4-[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoyl-4H-pyridin-1-yl)-3-methyloxolan-2-yl]methoxy]-3-hydroxy-4-oxobutanoic acid;1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[(2S)-3-carboxy-2-hydroxypropanoyl]oxymethyl]-4-methyloxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[(2S)-3-carboxy-2-hydroxypropanoyl]oxymethyl]-4-methyloxolan-2-yl]pyridin-1-ium-3-carboxylic acid;1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[(2S)-2-hydroxy-4-methoxy-4-oxobutanoyl]oxymethyl]-4-methyloxolan-2-yl]pyridin-1-ium-3-carboxylic acid;1-O-[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl] 4-O-pentan-3-yl (2S)-2-hydroxybutanedioate;1-O-[[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl] 4-O-pentan-3-yl (2S)-2-hydroxybutanedioate;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[(2S)-2-hydroxy-4-oxo-4-pentan-3-yloxybutanoyl]oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[(2S)-2-hydroxy-4-oxo-4-pentan-3-yloxybutanoyl]oxymethyl]oxolan-2-yl]pyridin-1-ium-3-carboxylic acid;1-[(2R,3R,4S,5S)-3-hydroxy-5-[[(2S)-2-hydroxy-4-methoxy-4-oxobutanoyl]oxymethyl]-4-methyloxolan-2-yl]-4H-pyridine-3-carboxylic acid
CID 163707253
propan-2-yl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoylpyridin-1-ium-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 157417247
methyl 2-[[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;trifluoromethanesulfonate
CID 138470204
2,2-dimethylpropyl 2-[[[(3aR,4R,6aR)-4-(3-carbamoylpyridin-1-ium-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-phenoxyphosphoryl]amino]propanoate;2,2-dimethylpropyl 2-[[[(3aR,4R,6aR)-4-(3-carbamoyl-4H-pyridin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-phenoxyphosphoryl]amino]propanoate;methane
CID 158554173
2,2-dimethylpropyl 2-[[[(3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 126555051
propan-2-yl (2S)-2-[[[(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate chloride
CID 138470194
methyl (2S)-2-[[[(2S,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-bis(ethenyl)oxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 158349177
2-ethylbutyl (2S)-2-[[[5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 134557524
1-[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-3-(2-amino-3-methylbutanoyl)oxy-5-(hydroxymethyl)oxolan-2-yl]-4H-pyridine-3-carboxylic acid
CID 170107458

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]pyridin-1-ium-3-carboxylic acid;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoylpyridin-1-ium-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoyl-4H-pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]pyridin-1-ium-3-carboxylic acid;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoylpyridin-1-ium-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoyl-4H-pyridin-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
The IUPAC name of 1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]pyridin-1-ium-3-carboxylic acid;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoylpyridin-1-ium-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoyl-4H-pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]pyridin-1-ium-3-carboxylic acid;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoylpyridin-1-ium-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoyl-4H-pyridin-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate (CID 163982086) is 1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]pyridin-1-ium-3-carboxylic acid;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoylpyridin-1-ium-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoyl-4H-pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]pyridin-1-ium-3-carboxylic acid;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoylpyridin-1-ium-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoyl-4H-pyridin-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate.
What is the SMILES notation for 1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]pyridin-1-ium-3-carboxylic acid;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoylpyridin-1-ium-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoyl-4H-pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]pyridin-1-ium-3-carboxylic acid;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoylpyridin-1-ium-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoyl-4H-pyridin-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
The canonical SMILES for 1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]pyridin-1-ium-3-carboxylic acid;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoylpyridin-1-ium-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoyl-4H-pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]pyridin-1-ium-3-carboxylic acid;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoylpyridin-1-ium-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoyl-4H-pyridin-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate is CC(C)[C@H](N)C(=O)O[C@@H]1[C@H](OC(=O)[C@@H](N)C(C)C)[C@@H](CO)O[C@H]1N1C=CCC(C(N)=O)=C1.CC(C)[C@H](N)C(=O)O[C@@H]1[C@H](OC(=O)[C@@H](N)C(C)C)[C@@H](CO)O[C@H]1[n+]1cccc(C(N)=O)c1.COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](N2C=CCC(C(=O)O)=C2)[C@H](O)[C@@H]1O)Oc1ccccc1.COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](N2C=CCC(C(=O)O)=C2)[C@H](OC(C)=O)[C@@H]1C)Oc1ccccc1.COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](N2C=CCC(C(N)=O)=C2)[C@H](OC(C)=O)[C@@H]1C)Oc1ccccc1.COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H]([n+]2cccc(C(=O)O)c2)[C@H](O)[C@@H]1O)Oc1ccccc1.COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H]([n+]2cccc(C(=O)O)c2)[C@H](OC(C)=O)[C@@H]1C)Oc1ccccc1.COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H]([n+]2cccc(C(N)=O)c2)[C@H](OC(C)=O)[C@@H]1C)Oc1ccccc1.
What is the InChIKey of 1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]pyridin-1-ium-3-carboxylic acid;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoylpyridin-1-ium-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoyl-4H-pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]pyridin-1-ium-3-carboxylic acid;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoylpyridin-1-ium-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoyl-4H-pyridin-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
The InChIKey is SZHFJIAKUGMRFQ-CGHUYTTDSA-R. The full InChI is InChI=1S/C24H32N3O9P.C24H30N3O9P.C24H31N2O10P.C24H29N2O10P.C21H34N4O7.C21H32N4O7.C21H27N2O10P.C21H25N2O10P/c2*1-15-20(35-23(21(15)34-17(3)28)27-12-8-9-18(13-27)22(25)29)14-33-37(31,26-16(2)24(30)32-4)36-19-10-6-5-7-11-19;2*1-15-20(35-22(21(15)34-17(3)27)26-12-8-9-18(13-26)23(28)29)14-33-37(31,25-16(2)24(30)32-4)36-19-10-6-5-7-11-19;2*1-10(2)14(22)20(28)31-16-13(9-26)30-19(17(16)32-21(29)15(23)11(3)4)25-7-5-6-12(8-25)18(24)27;2*1-13(21(28)30-2)22-34(29,33-15-8-4-3-5-9-15)31-12-16-17(24)18(25)19(32-16)23-10-6-7-14(11-23)20(26)27/h5-8,10-13,15-16,20-21,23H,9,14H2,1-4H3,(H2,25,29)(H,26,31);5-13,15-16,20-21,23H,14H2,1-4H3,(H2-,25,26,29,31);5-8,10-13,15-16,20-22H,9,14H2,1-4H3,(H,25,31)(H,28,29);5-13,15-16,20-22H,14H2,1-4H3,(H-,25,28,29,31);5,7-8,10-11,13-17,19,26H,6,9,22-23H2,1-4H3,(H2,24,27);5-8,10-11,13-17,19,26H,9,22-23H2,1-4H3,(H-,24,27);3-6,8-11,13,16-19,24-25H,7,12H2,1-2H3,(H,22,29)(H,26,27);3-11,13,16-19,24-25H,12H2,1-2H3,(H-,22,26,27,29)/p+4/t2*15-,16+,20-,21-,23-,37?;2*15-,16+,20-,21-,22-,37?;2*13-,14+,15+,16-,17-,19-;2*13-,16+,17+,18+,19+,34?/m11111100/s1.
What are the key properties of 1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]pyridin-1-ium-3-carboxylic acid;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoylpyridin-1-ium-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoyl-4H-pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]pyridin-1-ium-3-carboxylic acid;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoylpyridin-1-ium-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoyl-4H-pyridin-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]pyridin-1-ium-3-carboxylic acid;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoylpyridin-1-ium-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoyl-4H-pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]pyridin-1-ium-3-carboxylic acid;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoylpyridin-1-ium-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoyl-4H-pyridin-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate has a molecular weight of 4053.86 g/mol, XLogP of 8.89, 82 rotatable bonds, 24 hydrogen bond donors, and 76 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4R,5S)-3-acetyloxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-4-methyloxolan-2-yl]pyridin-1-ium-3-carboxylic acid;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoylpyridin-1-ium-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;[(2R,3R,4R,5R)-4-[(2S)-2-amino-3-methylbutanoyl]oxy-5-(3-carbamoyl-4H-pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2S)-2-amino-3-methylbutanoate;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]oxolan-2-yl]pyridin-1-ium-3-carboxylic acid;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoylpyridin-1-ium-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;methyl (2S)-2-[[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoyl-4H-pyridin-1-yl)-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate is sourced from PubChem (CID 163982086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).