(2-amino-2-carboxyethyl)-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;2-carboxyethyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(carboxymethylamino)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(2-carboxypiperidin-4-yl)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;[(2R,4S,5R)-3,4-dihydroxy-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-2-yl]methoxy-methylphosphinate

C86H117N33O43P5-5 — CID 160632500

About (2-amino-2-carboxyethyl)-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;2-carboxyethyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(carboxymethylamino)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(2-carboxypiperidin-4-yl)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;[(2R,4S,5R)-3,4-dihydroxy-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-2-yl]methoxy-methylphosphinate

(2-amino-2-carboxyethyl)-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;2-carboxyethyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(carboxymethylamino)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(2-carboxypiperidin-4-yl)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;[(2R,4S,5R)-3,4-dihydroxy-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-2-yl]methoxy-methylphosphinate (PubChem CID 160632500) has the molecular formula C86H117N33O43P5-5 and a molecular weight of 2455.94 g/mol. Its IUPAC name is (2-amino-2-carboxyethyl)-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;2-carboxyethyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(carboxymethylamino)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(2-carboxypiperidin-4-yl)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;[(2R,4S,5R)-3,4-dihydroxy-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-2-yl]methoxy-methylphosphinate.

Molecular Properties

• Compound Name: (2-amino-2-carboxyethyl)-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;2-carboxyethyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(carboxymethylamino)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(2-carboxypiperidin-4-yl)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;[(2R,4S,5R)-3,4-dihydroxy-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-2-yl]methoxy-methylphosphinate
• PubChem CID: 160632500
• Molecular Formula: C86H117N33O43P5-5
• Molecular Weight: 2455.94 g/mol
• Exact Mass: 2454.67
• IUPAC Name: (2-amino-2-carboxyethyl)-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;2-carboxyethyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(carboxymethylamino)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(2-carboxypiperidin-4-yl)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;[(2R,4S,5R)-3,4-dihydroxy-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-2-yl]methoxy-methylphosphinate
• SMILES: CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])CC(N)C(=O)O)C(O)[C@@H]1O.CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])CC2CCNC(C(=O)O)C2)C(O)[C@@H]1O.CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])CCC(=O)O)C(O)[C@@H]1O.CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])CNCC(=O)O)C(O)[C@@H]1O.CP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccccc4)ncnc32)[C@@H](O)C1O
• InChI: InChI=1S/C20H30N7O9P.C18H21N6O7P.2C16H24N7O9P.C16H23N6O9P/c1-2-21-20(32)26-16-13-17(24-8-23-16)27(9-25-13)18-15(29)14(28)12(36-18)6-35-37(33,34)7-10-3-4-22-11(5-10)19(30)31;1-32(28,29)30-7-11-13(25)14(26)17(31-11)24-9-21-12-15(19-8-20-16(12)24)23-18(27)22-10-5-3-2-4-6-10;1-2-18-16(28)22-13-10-14(20-5-19-13)23(6-21-10)15-12(27)11(26)8(32-15)4-31-33(29,30)7-17-3-9(24)25;1-2-18-16(28)22-12-9-13(20-5-19-12)23(6-21-9)14-11(25)10(24)8(32-14)3-31-33(29,30)4-7(17)15(26)27;1-2-17-16(27)21-13-10-14(19-6-18-13)22(7-20-10)15-12(26)11(25)8(31-15)5-30-32(28,29)4-3-9(23)24/h8-12,14-15,18,22,28-29H,2-7H2,1H3,(H,30,31)(H,33,34)(H2,21,23,24,26,32);2-6,8-9,11,13-14,17,25-26H,7H2,1H3,(H,28,29)(H2,19,20,22,23,27);5-6,8,11-12,15,17,26-27H,2-4,7H2,1H3,(H,24,25)(H,29,30)(H2,18,19,20,22,28);5-8,10-11,14,24-25H,2-4,17H2,1H3,(H,26,27)(H,29,30)(H2,18,19,20,22,28);6-8,11-12,15,25-26H,2-5H2,1H3,(H,23,24)(H,28,29)(H2,17,18,19,21,27)/p-5/t10?,11?,12-,14?,15+,18-;11-,13?,14+,17-;8-,11?,12+,15-;7?,8-,10?,11+,14-;8-,11?,12+,15-/m11111/s1
• InChIKey: RICCTUGXZZVUQV-SKMSKKTGSA-I
• XLogP: -7.11
• TPSA: 1118.18 Ų
• H-Bond Donors: 27
• H-Bond Acceptors: 62
• Rotatable Bonds: 43
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2455.94
LogP ≤ 5	-7.11
H-Bond Donors ≤ 5	27
H-Bond Acceptors ≤ 10	62

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-carboxyethyl)-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;2-carboxyethyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(carboxymethylamino)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(2-carboxypiperidin-4-yl)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;[(2R,4S,5R)-3,4-dihydroxy-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-2-yl]methoxy-methylphosphinate?

The IUPAC name of (2-amino-2-carboxyethyl)-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;2-carboxyethyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(carboxymethylamino)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(2-carboxypiperidin-4-yl)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;[(2R,4S,5R)-3,4-dihydroxy-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-2-yl]methoxy-methylphosphinate (CID 160632500) is (2-amino-2-carboxyethyl)-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;2-carboxyethyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(carboxymethylamino)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(2-carboxypiperidin-4-yl)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;[(2R,4S,5R)-3,4-dihydroxy-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-2-yl]methoxy-methylphosphinate.

What is the SMILES notation for (2-amino-2-carboxyethyl)-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;2-carboxyethyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(carboxymethylamino)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(2-carboxypiperidin-4-yl)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;[(2R,4S,5R)-3,4-dihydroxy-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-2-yl]methoxy-methylphosphinate?

The canonical SMILES for (2-amino-2-carboxyethyl)-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;2-carboxyethyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(carboxymethylamino)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(2-carboxypiperidin-4-yl)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;[(2R,4S,5R)-3,4-dihydroxy-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-2-yl]methoxy-methylphosphinate is CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])CC(N)C(=O)O)C(O)[C@@H]1O.CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])CC2CCNC(C(=O)O)C2)C(O)[C@@H]1O.CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])CCC(=O)O)C(O)[C@@H]1O.CCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])CNCC(=O)O)C(O)[C@@H]1O.CP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccccc4)ncnc32)[C@@H](O)C1O.

What is the InChIKey of (2-amino-2-carboxyethyl)-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;2-carboxyethyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(carboxymethylamino)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(2-carboxypiperidin-4-yl)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;[(2R,4S,5R)-3,4-dihydroxy-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-2-yl]methoxy-methylphosphinate?

The InChIKey is RICCTUGXZZVUQV-SKMSKKTGSA-I. The full InChI is InChI=1S/C20H30N7O9P.C18H21N6O7P.2C16H24N7O9P.C16H23N6O9P/c1-2-21-20(32)26-16-13-17(24-8-23-16)27(9-25-13)18-15(29)14(28)12(36-18)6-35-37(33,34)7-10-3-4-22-11(5-10)19(30)31;1-32(28,29)30-7-11-13(25)14(26)17(31-11)24-9-21-12-15(19-8-20-16(12)24)23-18(27)22-10-5-3-2-4-6-10;1-2-18-16(28)22-13-10-14(20-5-19-13)23(6-21-10)15-12(27)11(26)8(32-15)4-31-33(29,30)7-17-3-9(24)25;1-2-18-16(28)22-12-9-13(20-5-19-12)23(6-21-9)14-11(25)10(24)8(32-14)3-31-33(29,30)4-7(17)15(26)27;1-2-17-16(27)21-13-10-14(19-6-18-13)22(7-20-10)15-12(26)11(25)8(31-15)5-30-32(28,29)4-3-9(23)24/h8-12,14-15,18,22,28-29H,2-7H2,1H3,(H,30,31)(H,33,34)(H2,21,23,24,26,32);2-6,8-9,11,13-14,17,25-26H,7H2,1H3,(H,28,29)(H2,19,20,22,23,27);5-6,8,11-12,15,17,26-27H,2-4,7H2,1H3,(H,24,25)(H,29,30)(H2,18,19,20,22,28);5-8,10-11,14,24-25H,2-4,17H2,1H3,(H,26,27)(H,29,30)(H2,18,19,20,22,28);6-8,11-12,15,25-26H,2-5H2,1H3,(H,23,24)(H,28,29)(H2,17,18,19,21,27)/p-5/t10?,11?,12-,14?,15+,18-;11-,13?,14+,17-;8-,11?,12+,15-;7?,8-,10?,11+,14-;8-,11?,12+,15-/m11111/s1.

What are the key properties of (2-amino-2-carboxyethyl)-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;2-carboxyethyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(carboxymethylamino)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(2-carboxypiperidin-4-yl)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;[(2R,4S,5R)-3,4-dihydroxy-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-2-yl]methoxy-methylphosphinate?

(2-amino-2-carboxyethyl)-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;2-carboxyethyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(carboxymethylamino)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(2-carboxypiperidin-4-yl)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;[(2R,4S,5R)-3,4-dihydroxy-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-2-yl]methoxy-methylphosphinate has a molecular weight of 2455.94 g/mol, XLogP of -7.11, 43 rotatable bonds, 27 hydrogen bond donors, and 62 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-2-carboxyethyl)-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;2-carboxyethyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(carboxymethylamino)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;(2-carboxypiperidin-4-yl)methyl-[[(2R,4S,5R)-5-[6-(ethylcarbamoylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinate;[(2R,4S,5R)-3,4-dihydroxy-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-2-yl]methoxy-methylphosphinate is sourced from PubChem (CID 160632500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).