4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[methyl(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate

C145H158N17O30P — CID 160998706

About 4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[methyl(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate

4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[methyl(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate (PubChem CID 160998706) has the molecular formula C145H158N17O30P and a molecular weight of 2649.92 g/mol. Its IUPAC name is 4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[methyl(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate.

Molecular Properties

• Compound Name: 4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[methyl(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate
• PubChem CID: 160998706
• Molecular Formula: C145H158N17O30P
• Molecular Weight: 2649.92 g/mol
• Exact Mass: 2648.11
• IUPAC Name: 4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[methyl(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate
• SMILES: CN(CCCC(=O)Nc1ccn([C@H]2CC(O)[C@@H](CO)O2)c(=O)n1)C(=O)OCC1c2ccccc2-c2ccccc21.COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)CCCN(C)C(=O)OCC4c5ccccc5-c5ccccc54)nc3=O)CC2O)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)CCCN(C)C(=O)OCC4c5ccccc5-c5ccccc54)nc3=O)CC2OP(OCCC#N)N(C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.Nc1ccn([C@H]2CC(O)[C@@H](CO)O2)c(=O)n1
• InChI: InChI=1S/C57H63N6O10P.C50H50N4O9.C29H32N4O7.C9H13N3O4/c1-39(2)62(4)74(71-35-15-32-58)73-50-36-54(72-51(50)38-70-57(40-16-8-7-9-17-40,41-23-27-43(67-5)28-24-41)42-25-29-44(68-6)30-26-42)63-34-31-52(60-55(63)65)59-53(64)22-14-33-61(3)56(66)69-37-49-47-20-12-10-18-45(47)46-19-11-13-21-48(46)49;1-53(49(58)61-31-42-40-16-9-7-14-38(40)39-15-8-10-17-41(39)42)28-11-18-46(56)51-45-27-29-54(48(57)52-45)47-30-43(55)44(63-47)32-62-50(33-12-5-4-6-13-33,34-19-23-36(59-2)24-20-34)35-21-25-37(60-3)26-22-35;1-32(29(38)39-17-22-20-9-4-2-7-18(20)19-8-3-5-10-21(19)22)13-6-11-26(36)30-25-12-14-33(28(37)31-25)27-15-23(35)24(16-34)40-27;10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h7-13,16-21,23-31,34,39,49-51,54H,14-15,22,33,35-38H2,1-6H3,(H,59,60,64,65);4-10,12-17,19-27,29,42-44,47,55H,11,18,28,30-32H2,1-3H3,(H,51,52,56,57);2-5,7-10,12,14,22-24,27,34-35H,6,11,13,15-17H2,1H3,(H,30,31,36,37);1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t50?,51-,54-,74?;43?,44-,47-;23?,24-,27-;5?,6-,8-/m1111/s1
• InChIKey: TVOVBASONVZXQL-LSIVZKRJSA-N
• XLogP: 18.51
• TPSA: 580.44 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 41
• Rotatable Bonds: 50
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2649.92
LogP ≤ 5	18.51
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[methyl(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate?

The IUPAC name of 4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[methyl(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate (CID 160998706) is 4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[methyl(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate.

What is the SMILES notation for 4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[methyl(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate?

The canonical SMILES for 4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[methyl(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate is CN(CCCC(=O)Nc1ccn([C@H]2CC(O)[C@@H](CO)O2)c(=O)n1)C(=O)OCC1c2ccccc2-c2ccccc21.COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)CCCN(C)C(=O)OCC4c5ccccc5-c5ccccc54)nc3=O)CC2O)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(NC(=O)CCCN(C)C(=O)OCC4c5ccccc5-c5ccccc54)nc3=O)CC2OP(OCCC#N)N(C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.Nc1ccn([C@H]2CC(O)[C@@H](CO)O2)c(=O)n1.

What is the InChIKey of 4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[methyl(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate?

The InChIKey is TVOVBASONVZXQL-LSIVZKRJSA-N. The full InChI is InChI=1S/C57H63N6O10P.C50H50N4O9.C29H32N4O7.C9H13N3O4/c1-39(2)62(4)74(71-35-15-32-58)73-50-36-54(72-51(50)38-70-57(40-16-8-7-9-17-40,41-23-27-43(67-5)28-24-41)42-25-29-44(68-6)30-26-42)63-34-31-52(60-55(63)65)59-53(64)22-14-33-61(3)56(66)69-37-49-47-20-12-10-18-45(47)46-19-11-13-21-48(46)49;1-53(49(58)61-31-42-40-16-9-7-14-38(40)39-15-8-10-17-41(39)42)28-11-18-46(56)51-45-27-29-54(48(57)52-45)47-30-43(55)44(63-47)32-62-50(33-12-5-4-6-13-33,34-19-23-36(59-2)24-20-34)35-21-25-37(60-3)26-22-35;1-32(29(38)39-17-22-20-9-4-2-7-18(20)19-8-3-5-10-21(19)22)13-6-11-26(36)30-25-12-14-33(28(37)31-25)27-15-23(35)24(16-34)40-27;10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h7-13,16-21,23-31,34,39,49-51,54H,14-15,22,33,35-38H2,1-6H3,(H,59,60,64,65);4-10,12-17,19-27,29,42-44,47,55H,11,18,28,30-32H2,1-3H3,(H,51,52,56,57);2-5,7-10,12,14,22-24,27,34-35H,6,11,13,15-17H2,1H3,(H,30,31,36,37);1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t50?,51-,54-,74?;43?,44-,47-;23?,24-,27-;5?,6-,8-/m1111/s1.

What are the key properties of 4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[methyl(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate?

4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[methyl(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate has a molecular weight of 2649.92 g/mol, XLogP of 18.51, 50 rotatable bonds, 9 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[methyl(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate;9H-fluoren-9-ylmethyl N-[4-[[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-4-oxobutyl]-N-methylcarbamate is sourced from PubChem (CID 160998706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).