propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

C150H216N42O42P6 — CID 161200635

IUPACpropan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
SMILESCNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)C1(C)C.CNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(N[C@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)C1(C)C.CNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)C1(C)C.CNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(N[C@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)C1(C)C.CNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)C1(C)C.CNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(N[C@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)C1(C)C
InChIInChI=1S/6C25H36N7O7P/c6*1-14(2)37-22(34)15(3)31-40(35,39-16-10-8-7-9-11-16)36-12-17-19(33)25(4,5)23(38-17)32-13-28-18-20(27-6)29-24(26)30-21(18)32/h6*7-11,13-15,17,19,23,33H,12H2,1-6H3,(H,31,35)(H3,26,27,29,30)/t15-,17+,19+,23+,40?;15-,17+,19+,23+,40+;15-,17+,19+,23+,40-;15-,17-,19-,23-,40?;15-,17-,19-,23-,40+;15-,17-,19-,23-,40-/m000111/s1
InChIKeyUUXWBDGHDMUHBM-LBFCOETJSA-N
MW3465.47 g/mol
LogP17.21
Rot. Bonds66

About propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate (PubChem CID 161200635) has the molecular formula C150H216N42O42P6 and a molecular weight of 3465.47 g/mol. Its IUPAC name is propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
PubChem CID161200635
Molecular FormulaC150H216N42O42P6
Molecular Weight3465.47 g/mol
Exact Mass3463.45
IUPAC Namepropan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
SMILESCNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)C1(C)C.CNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(N[C@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)C1(C)C.CNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)C1(C)C.CNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(N[C@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)C1(C)C.CNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)C1(C)C.CNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(N[C@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)C1(C)C
InChIInChI=1S/6C25H36N7O7P/c6*1-14(2)37-22(34)15(3)31-40(35,39-16-10-8-7-9-11-16)36-12-17-19(33)25(4,5)23(38-17)32-13-28-18-20(27-6)29-24(26)30-21(18)32/h6*7-11,13-15,17,19,23,33H,12H2,1-6H3,(H,31,35)(H3,26,27,29,30)/t15-,17+,19+,23+,40?;15-,17+,19+,23+,40+;15-,17+,19+,23+,40-;15-,17-,19-,23-,40?;15-,17-,19-,23-,40+;15-,17-,19-,23-,40-/m000111/s1
InChIKeyUUXWBDGHDMUHBM-LBFCOETJSA-N
XLogP17.21
TPSA1109.82 Ų
H-Bond Donors24
H-Bond Acceptors78
Rotatable Bonds66
Heavy Atoms240
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003465.47
LogP ≤ 517.21
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1078

Analyze propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
The IUPAC name of propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate (CID 161200635) is propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate.
What is the SMILES notation for propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
The canonical SMILES for propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate is CNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)C1(C)C.CNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(N[C@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)C1(C)C.CNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)C1(C)C.CNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(N[C@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)C1(C)C.CNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)C1(C)C.CNc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(N[C@H](C)C(=O)OC(C)C)Oc2ccccc2)[C@@H](O)C1(C)C.
What is the InChIKey of propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
The InChIKey is UUXWBDGHDMUHBM-LBFCOETJSA-N. The full InChI is InChI=1S/6C25H36N7O7P/c6*1-14(2)37-22(34)15(3)31-40(35,39-16-10-8-7-9-11-16)36-12-17-19(33)25(4,5)23(38-17)32-13-28-18-20(27-6)29-24(26)30-21(18)32/h6*7-11,13-15,17,19,23,33H,12H2,1-6H3,(H,31,35)(H3,26,27,29,30)/t15-,17+,19+,23+,40?;15-,17+,19+,23+,40+;15-,17+,19+,23+,40-;15-,17-,19-,23-,40?;15-,17-,19-,23-,40+;15-,17-,19-,23-,40-/m000111/s1.
What are the key properties of propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate has a molecular weight of 3465.47 g/mol, XLogP of 17.21, 66 rotatable bonds, 24 hydrogen bond donors, and 78 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2S)-2-[[[(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-3-hydroxy-4,4-dimethyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate is sourced from PubChem (CID 161200635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).