propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-cyano-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

C116H157N46O35P5 — CID 157457920

IUPACpropan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-cyano-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
SMILESCC(C)OC(=O)[C@@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(N)nc32)[C@](C)(N)[C@@H]1O)Oc1ccccc1.CC(C)OC(=O)[C@@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(N)nc32)[C@](C)(N=[N+]=[N-])[C@@H]1O)Oc1ccccc1.CC(C)OC(=O)[C@@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(N)nc32)[C@](C)(N=[N+]=[N-])[C@@H]1O)Oc1ccccc1.CC(C)OC(=O)[C@@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(N)nc32)[C@](C)(C#N)[C@@H]1O)Oc1ccccc1.CC(C)OC(=O)[C@@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(N)nc32)[C@](C)(N=[N+]=[N-])[C@@H]1O)Oc1ccccc1
InChIInChI=1S/C24H31N8O7P.3C23H31N10O7P.C23H33N8O7P/c1-13(2)37-21(34)14(3)31-40(35,39-15-8-6-5-7-9-15)36-10-16-18(33)24(4,11-25)22(38-16)32-12-28-17-19(26)29-23(27)30-20(17)32;3*1-12(2)38-20(35)13(3)30-41(36,40-14-8-6-5-7-9-14)37-10-15-17(34)23(4,31-32-26)21(39-15)33-11-27-16-18(24)28-22(25)29-19(16)33;1-12(2)36-20(33)13(3)30-39(34,38-14-8-6-5-7-9-14)35-10-15-17(32)23(4,26)21(37-15)31-11-27-16-18(24)28-22(25)29-19(16)31/h5-9,12-14,16,18,22,33H,10H2,1-4H3,(H,31,35)(H4,26,27,29,30);3*5-9,11-13,15,17,21,34H,10H2,1-4H3,(H,30,36)(H4,24,25,28,29);5-9,11-13,15,17,21,32H,10,26H2,1-4H3,(H,30,34)(H4,24,25,28,29)/t14-,16-,18-,22-,24-,40+;13-,15-,17-,21-,23-,41?;13-,15-,17-,21-,23-,41+;13-,15-,17-,21-,23-,41-;13-,15-,17-,21-,23-,39?/m11111/s1
InChIKeyBTORSSUIRFDBPN-OUQLULJGSA-N
MW2910.69 g/mol
LogP10.37
Rot. Bonds53

About propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-cyano-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-cyano-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate (PubChem CID 157457920) has the molecular formula C116H157N46O35P5 and a molecular weight of 2910.69 g/mol. Its IUPAC name is propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-cyano-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-cyano-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
PubChem CID157457920
Molecular FormulaC116H157N46O35P5
Molecular Weight2910.69 g/mol
Exact Mass2909.06
IUPAC Namepropan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-cyano-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
SMILESCC(C)OC(=O)[C@@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(N)nc32)[C@](C)(N)[C@@H]1O)Oc1ccccc1.CC(C)OC(=O)[C@@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(N)nc32)[C@](C)(N=[N+]=[N-])[C@@H]1O)Oc1ccccc1.CC(C)OC(=O)[C@@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(N)nc32)[C@](C)(N=[N+]=[N-])[C@@H]1O)Oc1ccccc1.CC(C)OC(=O)[C@@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(N)nc32)[C@](C)(C#N)[C@@H]1O)Oc1ccccc1.CC(C)OC(=O)[C@@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(N)nc32)[C@](C)(N=[N+]=[N-])[C@@H]1O)Oc1ccccc1
InChIInChI=1S/C24H31N8O7P.3C23H31N10O7P.C23H33N8O7P/c1-13(2)37-21(34)14(3)31-40(35,39-15-8-6-5-7-9-15)36-10-16-18(33)24(4,11-25)22(38-16)32-12-28-17-19(26)29-23(27)30-20(17)32;3*1-12(2)38-20(35)13(3)30-41(36,40-14-8-6-5-7-9-14)37-10-15-17(34)23(4,31-32-26)21(39-15)33-11-27-16-18(24)28-22(25)29-19(16)33;1-12(2)36-20(33)13(3)30-39(34,38-14-8-6-5-7-9-14)35-10-15-17(32)23(4,26)21(37-15)31-11-27-16-18(24)28-22(25)29-19(16)31/h5-9,12-14,16,18,22,33H,10H2,1-4H3,(H,31,35)(H4,26,27,29,30);3*5-9,11-13,15,17,21,34H,10H2,1-4H3,(H,30,36)(H4,24,25,28,29);5-9,11-13,15,17,21,32H,10,26H2,1-4H3,(H,30,34)(H4,24,25,28,29)/t14-,16-,18-,22-,24-,40+;13-,15-,17-,21-,23-,41?;13-,15-,17-,21-,23-,41+;13-,15-,17-,21-,23-,41-;13-,15-,17-,21-,23-,39?/m11111/s1
InChIKeyBTORSSUIRFDBPN-OUQLULJGSA-N
XLogP10.37
TPSA1190.89 Ų
H-Bond Donors21
H-Bond Acceptors70
Rotatable Bonds53
Heavy Atoms202
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002910.69
LogP ≤ 510.37
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1070

Analyze propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-cyano-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-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,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-cyano-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
The IUPAC name of propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-cyano-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate (CID 157457920) is propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-cyano-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate.
What is the SMILES notation for propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-cyano-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
The canonical SMILES for propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-cyano-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate is CC(C)OC(=O)[C@@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(N)nc32)[C@](C)(N)[C@@H]1O)Oc1ccccc1.CC(C)OC(=O)[C@@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(N)nc32)[C@](C)(N=[N+]=[N-])[C@@H]1O)Oc1ccccc1.CC(C)OC(=O)[C@@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(N)nc32)[C@](C)(N=[N+]=[N-])[C@@H]1O)Oc1ccccc1.CC(C)OC(=O)[C@@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(N)nc32)[C@](C)(C#N)[C@@H]1O)Oc1ccccc1.CC(C)OC(=O)[C@@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(N)nc32)[C@](C)(N=[N+]=[N-])[C@@H]1O)Oc1ccccc1.
What is the InChIKey of propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-cyano-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
The InChIKey is BTORSSUIRFDBPN-OUQLULJGSA-N. The full InChI is InChI=1S/C24H31N8O7P.3C23H31N10O7P.C23H33N8O7P/c1-13(2)37-21(34)14(3)31-40(35,39-15-8-6-5-7-9-15)36-10-16-18(33)24(4,11-25)22(38-16)32-12-28-17-19(26)29-23(27)30-20(17)32;3*1-12(2)38-20(35)13(3)30-41(36,40-14-8-6-5-7-9-14)37-10-15-17(34)23(4,31-32-26)21(39-15)33-11-27-16-18(24)28-22(25)29-19(16)33;1-12(2)36-20(33)13(3)30-39(34,38-14-8-6-5-7-9-14)35-10-15-17(32)23(4,26)21(37-15)31-11-27-16-18(24)28-22(25)29-19(16)31/h5-9,12-14,16,18,22,33H,10H2,1-4H3,(H,31,35)(H4,26,27,29,30);3*5-9,11-13,15,17,21,34H,10H2,1-4H3,(H,30,36)(H4,24,25,28,29);5-9,11-13,15,17,21,32H,10,26H2,1-4H3,(H,30,34)(H4,24,25,28,29)/t14-,16-,18-,22-,24-,40+;13-,15-,17-,21-,23-,41?;13-,15-,17-,21-,23-,41+;13-,15-,17-,21-,23-,41-;13-,15-,17-,21-,23-,39?/m11111/s1.
What are the key properties of propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-cyano-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?
propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-cyano-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate has a molecular weight of 2910.69 g/mol, XLogP of 10.37, 53 rotatable bonds, 21 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-amino-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-azido-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;propan-2-yl (2R)-2-[[[(2R,3S,4R,5R)-4-cyano-5-(2,6-diaminopurin-9-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate is sourced from PubChem (CID 157457920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).