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)

C172H264N28O80P8+4 — CID 161258668

IUPAC1-[(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)
SMILESC=C[C@@H]1[C@H](C=C)[C@@H](COP(=O)(NC(C)C)NC(C)C)O[C@H]1N1C=CCC(C(=O)O)=C1.C=C[C@@H]1[C@H](C=C)[C@@H](COP(=O)(NC(C)C)NC(C)C)O[C@H]1[n+]1cccc(C(=O)O)c1.CC(=O)O[C@@H]1[C@H](C)[C@@H](COP(=O)(NC(C)C)NC(C)C)O[C@H]1N1C=CCC(C(=O)O)=C1.CC(=O)O[C@@H]1[C@H](C)[C@@H](COP(=O)(NC(C)C)NC(C)C)O[C@H]1N1C=CCC(C(N)=O)=C1.CC(=O)O[C@@H]1[C@H](C)[C@@H](COP(=O)(NC(C)C)NC(C)C)O[C@H]1[n+]1cccc(C(=O)O)c1.CC(=O)O[C@@H]1[C@H](C)[C@@H](COP(=O)(NC(C)C)NC(C)C)O[C@H]1[n+]1cccc(C(N)=O)c1.CC(C)NP(=O)(NC(C)C)OC[C@H]1O[C@@H](N2C=CCC(C(N)=O)=C2)[C@H](O)[C@@H]1O.CC(C)NP(=O)(NC(C)C)OC[C@H]1O[C@@H]([n+]2cccc(C(N)=O)c2)[C@H](O)[C@@H]1O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C21H34N3O5P.C21H32N3O5P.C20H35N4O6P.C20H33N4O6P.C20H34N3O7P.C20H32N3O7P.C17H31N4O6P.C17H29N4O6P.16CO2/c2*1-7-17-18(8-2)20(24-11-9-10-16(12-24)21(25)26)29-19(17)13-28-30(27,22-14(3)4)23-15(5)6;2*1-12(2)22-31(27,23-13(3)4)28-11-17-14(5)18(29-15(6)25)20(30-17)24-9-7-8-16(10-24)19(21)26;2*1-12(2)21-31(27,22-13(3)4)28-11-17-14(5)18(29-15(6)24)19(30-17)23-9-7-8-16(10-23)20(25)26;2*1-10(2)19-28(25,20-11(3)4)26-9-13-14(22)15(23)17(27-13)21-7-5-6-12(8-21)16(18)24;16*2-1-3/h7-9,11-12,14-15,17-20H,1-2,10,13H2,3-6H3,(H,25,26)(H2,22,23,27);7-12,14-15,17-20H,1-2,13H2,3-6H3,(H2-,22,23,25,26,27);7,9-10,12-14,17-18,20H,8,11H2,1-6H3,(H2,21,26)(H2,22,23,27);7-10,12-14,17-18,20H,11H2,1-6H3,(H3-,21,22,23,26,27);7,9-10,12-14,17-19H,8,11H2,1-6H3,(H,25,26)(H2,21,22,27);7-10,12-14,17-19H,11H2,1-6H3,(H2-,21,22,25,26,27);5,7-8,10-11,13-15,17,22-23H,6,9H2,1-4H3,(H2,18,24)(H2,19,20,25);5-8,10-11,13-15,17,22-23H,9H2,1-4H3,(H3-,18,19,20,24,25);;;;;;;;;;;;;;;;/p+4/t2*17-,18+,19+,20+;2*14-,17-,18-,20-;2*14-,17-,18-,19-;2*13-,14-,15-,17-;;;;;;;;;;;;;;;;/m00111111................/s1
InChIKeyVCGPCIDJQCMABO-OGOPDBFBSA-R
MW4251.91 g/mol
LogP6.03
Rot. Bonds80

About 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)

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) (PubChem CID 161258668) has the molecular formula C172H264N28O80P8+4 and a molecular weight of 4251.91 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Name1-[(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)
PubChem CID161258668
Molecular FormulaC172H264N28O80P8+4
Molecular Weight4251.91 g/mol
Exact Mass4249.53
IUPAC Name1-[(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)
SMILESC=C[C@@H]1[C@H](C=C)[C@@H](COP(=O)(NC(C)C)NC(C)C)O[C@H]1N1C=CCC(C(=O)O)=C1.C=C[C@@H]1[C@H](C=C)[C@@H](COP(=O)(NC(C)C)NC(C)C)O[C@H]1[n+]1cccc(C(=O)O)c1.CC(=O)O[C@@H]1[C@H](C)[C@@H](COP(=O)(NC(C)C)NC(C)C)O[C@H]1N1C=CCC(C(=O)O)=C1.CC(=O)O[C@@H]1[C@H](C)[C@@H](COP(=O)(NC(C)C)NC(C)C)O[C@H]1N1C=CCC(C(N)=O)=C1.CC(=O)O[C@@H]1[C@H](C)[C@@H](COP(=O)(NC(C)C)NC(C)C)O[C@H]1[n+]1cccc(C(=O)O)c1.CC(=O)O[C@@H]1[C@H](C)[C@@H](COP(=O)(NC(C)C)NC(C)C)O[C@H]1[n+]1cccc(C(N)=O)c1.CC(C)NP(=O)(NC(C)C)OC[C@H]1O[C@@H](N2C=CCC(C(N)=O)=C2)[C@H](O)[C@@H]1O.CC(C)NP(=O)(NC(C)C)OC[C@H]1O[C@@H]([n+]2cccc(C(N)=O)c2)[C@H](O)[C@@H]1O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C21H34N3O5P.C21H32N3O5P.C20H35N4O6P.C20H33N4O6P.C20H34N3O7P.C20H32N3O7P.C17H31N4O6P.C17H29N4O6P.16CO2/c2*1-7-17-18(8-2)20(24-11-9-10-16(12-24)21(25)26)29-19(17)13-28-30(27,22-14(3)4)23-15(5)6;2*1-12(2)22-31(27,23-13(3)4)28-11-17-14(5)18(29-15(6)25)20(30-17)24-9-7-8-16(10-24)19(21)26;2*1-12(2)21-31(27,22-13(3)4)28-11-17-14(5)18(29-15(6)24)19(30-17)23-9-7-8-16(10-23)20(25)26;2*1-10(2)19-28(25,20-11(3)4)26-9-13-14(22)15(23)17(27-13)21-7-5-6-12(8-21)16(18)24;16*2-1-3/h7-9,11-12,14-15,17-20H,1-2,10,13H2,3-6H3,(H,25,26)(H2,22,23,27);7-12,14-15,17-20H,1-2,13H2,3-6H3,(H2-,22,23,25,26,27);7,9-10,12-14,17-18,20H,8,11H2,1-6H3,(H2,21,26)(H2,22,23,27);7-10,12-14,17-18,20H,11H2,1-6H3,(H3-,21,22,23,26,27);7,9-10,12-14,17-19H,8,11H2,1-6H3,(H,25,26)(H2,21,22,27);7-10,12-14,17-19H,11H2,1-6H3,(H2-,21,22,25,26,27);5,7-8,10-11,13-15,17,22-23H,6,9H2,1-4H3,(H2,18,24)(H2,19,20,25);5-8,10-11,13-15,17,22-23H,9H2,1-4H3,(H3-,18,19,20,24,25);;;;;;;;;;;;;;;;/p+4/t2*17-,18+,19+,20+;2*14-,17-,18-,20-;2*14-,17-,18-,19-;2*13-,14-,15-,17-;;;;;;;;;;;;;;;;/m00111111................/s1
InChIKeyVCGPCIDJQCMABO-OGOPDBFBSA-R
XLogP6.03
TPSA1559.12 Ų
H-Bond Donors28
H-Bond Acceptors80
Rotatable Bonds80
Heavy Atoms288
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004251.91
LogP ≤ 56.03
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1080

Analyze 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) with MolForge

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Launch Full Analysis

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-[[[[(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
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
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-(propan-2-ylamino)phosphoryl]oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid
CID 170106535
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
1-[(2R,3R,4R,5R)-3,4-diacetyloxy-5-[2-[[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-(propan-2-ylamino)phosphoryl]oxyethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid
CID 155425541
[(2R,3R,4R,5R)-2-(3-carbamoyl-4H-pyridin-1-yl)-5-ethyl-4-methyloxolan-3-yl] acetate
CID 160978673
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
[(2R,5R)-2-(3-carbamoylpyridin-1-ium-1-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] acetate
CID 149456850
[(2R,3R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 167695811
4-O-[[(2S,3R,4R,5R)-4-acetyloxy-5-(3-carbamoyl-4H-pyridin-1-yl)-3-methyloxolan-2-yl]methyl] 1-O-methyl butanedioate
CID 159990842

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is C=C[C@@H]1[C@H](C=C)[C@@H](COP(=O)(NC(C)C)NC(C)C)O[C@H]1N1C=CCC(C(=O)O)=C1.C=C[C@@H]1[C@H](C=C)[C@@H](COP(=O)(NC(C)C)NC(C)C)O[C@H]1[n+]1cccc(C(=O)O)c1.CC(=O)O[C@@H]1[C@H](C)[C@@H](COP(=O)(NC(C)C)NC(C)C)O[C@H]1N1C=CCC(C(=O)O)=C1.CC(=O)O[C@@H]1[C@H](C)[C@@H](COP(=O)(NC(C)C)NC(C)C)O[C@H]1N1C=CCC(C(N)=O)=C1.CC(=O)O[C@@H]1[C@H](C)[C@@H](COP(=O)(NC(C)C)NC(C)C)O[C@H]1[n+]1cccc(C(=O)O)c1.CC(=O)O[C@@H]1[C@H](C)[C@@H](COP(=O)(NC(C)C)NC(C)C)O[C@H]1[n+]1cccc(C(N)=O)c1.CC(C)NP(=O)(NC(C)C)OC[C@H]1O[C@@H](N2C=CCC(C(N)=O)=C2)[C@H](O)[C@@H]1O.CC(C)NP(=O)(NC(C)C)OC[C@H]1O[C@@H]([n+]2cccc(C(N)=O)c2)[C@H](O)[C@@H]1O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of 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)?
The InChIKey is VCGPCIDJQCMABO-OGOPDBFBSA-R. The full InChI is InChI=1S/C21H34N3O5P.C21H32N3O5P.C20H35N4O6P.C20H33N4O6P.C20H34N3O7P.C20H32N3O7P.C17H31N4O6P.C17H29N4O6P.16CO2/c2*1-7-17-18(8-2)20(24-11-9-10-16(12-24)21(25)26)29-19(17)13-28-30(27,22-14(3)4)23-15(5)6;2*1-12(2)22-31(27,23-13(3)4)28-11-17-14(5)18(29-15(6)25)20(30-17)24-9-7-8-16(10-24)19(21)26;2*1-12(2)21-31(27,22-13(3)4)28-11-17-14(5)18(29-15(6)24)19(30-17)23-9-7-8-16(10-23)20(25)26;2*1-10(2)19-28(25,20-11(3)4)26-9-13-14(22)15(23)17(27-13)21-7-5-6-12(8-21)16(18)24;16*2-1-3/h7-9,11-12,14-15,17-20H,1-2,10,13H2,3-6H3,(H,25,26)(H2,22,23,27);7-12,14-15,17-20H,1-2,13H2,3-6H3,(H2-,22,23,25,26,27);7,9-10,12-14,17-18,20H,8,11H2,1-6H3,(H2,21,26)(H2,22,23,27);7-10,12-14,17-18,20H,11H2,1-6H3,(H3-,21,22,23,26,27);7,9-10,12-14,17-19H,8,11H2,1-6H3,(H,25,26)(H2,21,22,27);7-10,12-14,17-19H,11H2,1-6H3,(H2-,21,22,25,26,27);5,7-8,10-11,13-15,17,22-23H,6,9H2,1-4H3,(H2,18,24)(H2,19,20,25);5-8,10-11,13-15,17,22-23H,9H2,1-4H3,(H3-,18,19,20,24,25);;;;;;;;;;;;;;;;/p+4/t2*17-,18+,19+,20+;2*14-,17-,18-,20-;2*14-,17-,18-,19-;2*13-,14-,15-,17-;;;;;;;;;;;;;;;;/m00111111................/s1.
What are the key properties of 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)?
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) has a molecular weight of 4251.91 g/mol, XLogP of 6.03, 80 rotatable bonds, 28 hydrogen bond donors, and 80 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 161258668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).