[[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;[[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;(1R,2R,3S,4R,5S)-1-(hydroxymethyl)-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]bicyclo[3.1.0]hexane-2,3-diol

C84H121N26O51P11 — CID 160717891

IUPAC[[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;[[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;(1R,2R,3S,4R,5S)-1-(hydroxymethyl)-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]bicyclo[3.1.0]hexane-2,3-diol
SMILESCNc1ccnc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12.CNc1ccnc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(COP(=O)(O)O)C[C@H]12.CNc1ccnc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(COP(=O)(O)OP(=O)(O)O)C[C@H]12.CNc1ccnc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@H]12.CNc1nc(C)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(COP(=O)(O)OP(=O)(O)O)C[C@H]12.CNc1nc(C)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@H]12
InChIInChI=1S/C14H22N5O12P3.C14H21N5O9P2.C14H21N4O12P3.C14H20N4O9P2.C14H19N4O6P.C14H18N4O3/c1-6-17-12(15-2)8-13(18-6)19(5-16-8)9-7-3-14(7,11(21)10(9)20)4-29-33(25,26)31-34(27,28)30-32(22,23)24;1-6-17-12(15-2)8-13(18-6)19(5-16-8)9-7-3-14(7,11(21)10(9)20)4-27-30(25,26)28-29(22,23)24;1-15-8-2-3-16-13-9(8)17-6-18(13)10-7-4-14(7,12(20)11(10)19)5-28-32(24,25)30-33(26,27)29-31(21,22)23;1-15-8-2-3-16-13-9(8)17-6-18(13)10-7-4-14(7,12(20)11(10)19)5-26-29(24,25)27-28(21,22)23;1-15-8-2-3-16-13-9(8)17-6-18(13)10-7-4-14(7,12(20)11(10)19)5-24-25(21,22)23;1-15-8-2-3-16-13-9(8)17-6-18(13)10-7-4-14(7,5-19)12(21)11(10)20/h5,7,9-11,20-21H,3-4H2,1-2H3,(H,25,26)(H,27,28)(H,15,17,18)(H2,22,23,24);5,7,9-11,20-21H,3-4H2,1-2H3,(H,25,26)(H,15,17,18)(H2,22,23,24);2-3,6-7,10-12,19-20H,4-5H2,1H3,(H,15,16)(H,24,25)(H,26,27)(H2,21,22,23);2-3,6-7,10-12,19-20H,4-5H2,1H3,(H,15,16)(H,24,25)(H2,21,22,23);2-3,6-7,10-12,19-20H,4-5H2,1H3,(H,15,16)(H2,21,22,23);2-3,6-7,10-12,19-21H,4-5H2,1H3,(H,15,16)/t2*7-,9-,10+,11+,14+;4*7-,10-,11+,12+,14+/m111111/s1
InChIKeyRSSHIWOVJVVGFM-KOWLEXNPSA-N
MW2651.74 g/mol
LogP-0.82
Rot. Bonds40

About [[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;[[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;(1R,2R,3S,4R,5S)-1-(hydroxymethyl)-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]bicyclo[3.1.0]hexane-2,3-diol

[[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;[[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;(1R,2R,3S,4R,5S)-1-(hydroxymethyl)-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]bicyclo[3.1.0]hexane-2,3-diol (PubChem CID 160717891) has the molecular formula C84H121N26O51P11 and a molecular weight of 2651.74 g/mol. Its IUPAC name is [[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;[[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;(1R,2R,3S,4R,5S)-1-(hydroxymethyl)-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]bicyclo[3.1.0]hexane-2,3-diol.

Molecular Properties

Compound Name[[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;[[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;(1R,2R,3S,4R,5S)-1-(hydroxymethyl)-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]bicyclo[3.1.0]hexane-2,3-diol
PubChem CID160717891
Molecular FormulaC84H121N26O51P11
Molecular Weight2651.74 g/mol
Exact Mass2650.48
IUPAC Name[[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;[[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;(1R,2R,3S,4R,5S)-1-(hydroxymethyl)-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]bicyclo[3.1.0]hexane-2,3-diol
SMILESCNc1ccnc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12.CNc1ccnc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(COP(=O)(O)O)C[C@H]12.CNc1ccnc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(COP(=O)(O)OP(=O)(O)O)C[C@H]12.CNc1ccnc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@H]12.CNc1nc(C)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(COP(=O)(O)OP(=O)(O)O)C[C@H]12.CNc1nc(C)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@H]12
InChIInChI=1S/C14H22N5O12P3.C14H21N5O9P2.C14H21N4O12P3.C14H20N4O9P2.C14H19N4O6P.C14H18N4O3/c1-6-17-12(15-2)8-13(18-6)19(5-16-8)9-7-3-14(7,11(21)10(9)20)4-29-33(25,26)31-34(27,28)30-32(22,23)24;1-6-17-12(15-2)8-13(18-6)19(5-16-8)9-7-3-14(7,11(21)10(9)20)4-27-30(25,26)28-29(22,23)24;1-15-8-2-3-16-13-9(8)17-6-18(13)10-7-4-14(7,12(20)11(10)19)5-28-32(24,25)30-33(26,27)29-31(21,22)23;1-15-8-2-3-16-13-9(8)17-6-18(13)10-7-4-14(7,12(20)11(10)19)5-26-29(24,25)27-28(21,22)23;1-15-8-2-3-16-13-9(8)17-6-18(13)10-7-4-14(7,12(20)11(10)19)5-24-25(21,22)23;1-15-8-2-3-16-13-9(8)17-6-18(13)10-7-4-14(7,5-19)12(21)11(10)20/h5,7,9-11,20-21H,3-4H2,1-2H3,(H,25,26)(H,27,28)(H,15,17,18)(H2,22,23,24);5,7,9-11,20-21H,3-4H2,1-2H3,(H,25,26)(H,15,17,18)(H2,22,23,24);2-3,6-7,10-12,19-20H,4-5H2,1H3,(H,15,16)(H,24,25)(H,26,27)(H2,21,22,23);2-3,6-7,10-12,19-20H,4-5H2,1H3,(H,15,16)(H,24,25)(H2,21,22,23);2-3,6-7,10-12,19-20H,4-5H2,1H3,(H,15,16)(H2,21,22,23);2-3,6-7,10-12,19-21H,4-5H2,1H3,(H,15,16)/t2*7-,9-,10+,11+,14+;4*7-,10-,11+,12+,14+/m111111/s1
InChIKeyRSSHIWOVJVVGFM-KOWLEXNPSA-N
XLogP-0.82
TPSA1158.19 Ų
H-Bond Donors35
H-Bond Acceptors61
Rotatable Bonds40
Heavy Atoms172
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002651.74
LogP ≤ 5-0.82
H-Bond Donors ≤ 535
H-Bond Acceptors ≤ 1061

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;[[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;(1R,2R,3S,4R,5S)-1-(hydroxymethyl)-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]bicyclo[3.1.0]hexane-2,3-diol with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;[[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;(1R,2R,3S,4R,5S)-1-(hydroxymethyl)-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]bicyclo[3.1.0]hexane-2,3-diol?
The IUPAC name of [[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;[[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;(1R,2R,3S,4R,5S)-1-(hydroxymethyl)-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]bicyclo[3.1.0]hexane-2,3-diol (CID 160717891) is [[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;[[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;(1R,2R,3S,4R,5S)-1-(hydroxymethyl)-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]bicyclo[3.1.0]hexane-2,3-diol.
What is the SMILES notation for [[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;[[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;(1R,2R,3S,4R,5S)-1-(hydroxymethyl)-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]bicyclo[3.1.0]hexane-2,3-diol?
The canonical SMILES for [[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;[[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;(1R,2R,3S,4R,5S)-1-(hydroxymethyl)-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]bicyclo[3.1.0]hexane-2,3-diol is CNc1ccnc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12.CNc1ccnc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(COP(=O)(O)O)C[C@H]12.CNc1ccnc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(COP(=O)(O)OP(=O)(O)O)C[C@H]12.CNc1ccnc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@H]12.CNc1nc(C)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(COP(=O)(O)OP(=O)(O)O)C[C@H]12.CNc1nc(C)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C[C@H]12.
What is the InChIKey of [[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;[[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;(1R,2R,3S,4R,5S)-1-(hydroxymethyl)-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]bicyclo[3.1.0]hexane-2,3-diol?
The InChIKey is RSSHIWOVJVVGFM-KOWLEXNPSA-N. The full InChI is InChI=1S/C14H22N5O12P3.C14H21N5O9P2.C14H21N4O12P3.C14H20N4O9P2.C14H19N4O6P.C14H18N4O3/c1-6-17-12(15-2)8-13(18-6)19(5-16-8)9-7-3-14(7,11(21)10(9)20)4-29-33(25,26)31-34(27,28)30-32(22,23)24;1-6-17-12(15-2)8-13(18-6)19(5-16-8)9-7-3-14(7,11(21)10(9)20)4-27-30(25,26)28-29(22,23)24;1-15-8-2-3-16-13-9(8)17-6-18(13)10-7-4-14(7,12(20)11(10)19)5-28-32(24,25)30-33(26,27)29-31(21,22)23;1-15-8-2-3-16-13-9(8)17-6-18(13)10-7-4-14(7,12(20)11(10)19)5-26-29(24,25)27-28(21,22)23;1-15-8-2-3-16-13-9(8)17-6-18(13)10-7-4-14(7,12(20)11(10)19)5-24-25(21,22)23;1-15-8-2-3-16-13-9(8)17-6-18(13)10-7-4-14(7,5-19)12(21)11(10)20/h5,7,9-11,20-21H,3-4H2,1-2H3,(H,25,26)(H,27,28)(H,15,17,18)(H2,22,23,24);5,7,9-11,20-21H,3-4H2,1-2H3,(H,25,26)(H,15,17,18)(H2,22,23,24);2-3,6-7,10-12,19-20H,4-5H2,1H3,(H,15,16)(H,24,25)(H,26,27)(H2,21,22,23);2-3,6-7,10-12,19-20H,4-5H2,1H3,(H,15,16)(H,24,25)(H2,21,22,23);2-3,6-7,10-12,19-20H,4-5H2,1H3,(H,15,16)(H2,21,22,23);2-3,6-7,10-12,19-21H,4-5H2,1H3,(H,15,16)/t2*7-,9-,10+,11+,14+;4*7-,10-,11+,12+,14+/m111111/s1.
What are the key properties of [[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;[[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;(1R,2R,3S,4R,5S)-1-(hydroxymethyl)-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]bicyclo[3.1.0]hexane-2,3-diol?
[[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;[[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;(1R,2R,3S,4R,5S)-1-(hydroxymethyl)-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]bicyclo[3.1.0]hexane-2,3-diol has a molecular weight of 2651.74 g/mol, XLogP of -0.82, 40 rotatable bonds, 35 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for [[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;[[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;[(1R,2R,3S,4R,5S)-2,3-dihydroxy-4-[2-methyl-6-(methylamino)purin-9-yl]-1-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate;(1R,2R,3S,4R,5S)-1-(hydroxymethyl)-4-[7-(methylamino)imidazo[4,5-b]pyridin-3-yl]bicyclo[3.1.0]hexane-2,3-diol is sourced from PubChem (CID 160717891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).