1-[(2R,3S,5S)-5-(hydroxymethyl)-3-methoxy-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[[(2S,4S,5R)-4-methoxy-5-[4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxopyrimidin-1-yl]-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;oxo(diphenoxy)phosphanium

C88H97N8O19P2+ — CID 91223630

IUPAC1-[(2R,3S,5S)-5-(hydroxymethyl)-3-methoxy-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[[(2S,4S,5R)-4-methoxy-5-[4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxopyrimidin-1-yl]-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;oxo(diphenoxy)phosphanium
SMILESCOC(=O)[C@H](C)N.COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(NC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)nc2=O)[C@@H](OC)C1C)Oc1ccccc1.COc1ccc(C(Nc2ccn([C@@H]3O[C@H](CO)C(C)[C@@H]3OC)c(=O)n2)(c2ccccc2)c2ccccc2)cc1.O=[P+](Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C41H45N4O9P.C31H33N3O5.C12H10O3P.C4H9NO2/c1-28-35(27-52-55(48,44-29(2)39(46)51-5)54-34-19-13-8-14-20-34)53-38(37(28)50-4)45-26-25-36(42-40(45)47)43-41(30-15-9-6-10-16-30,31-17-11-7-12-18-31)32-21-23-33(49-3)24-22-32;1-21-26(20-35)39-29(28(21)38-3)34-19-18-27(32-30(34)36)33-31(22-10-6-4-7-11-22,23-12-8-5-9-13-23)24-14-16-25(37-2)17-15-24;13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;1-3(5)4(6)7-2/h6-26,28-29,35,37-38H,27H2,1-5H3,(H,44,48)(H,42,43,47);4-19,21,26,28-29,35H,20H2,1-3H3,(H,32,33,36);1-10H;3H,5H2,1-2H3/q;;+1;/t28?,29-,35+,37-,38+,55?;21?,26-,28+,29-;;3-/m01.0/s1
InChIKeyKEPXHGNSBKQVDV-KMTWVQRSSA-N
MW1632.73 g/mol
LogP14.06
Rot. Bonds30

About 1-[(2R,3S,5S)-5-(hydroxymethyl)-3-methoxy-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[[(2S,4S,5R)-4-methoxy-5-[4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxopyrimidin-1-yl]-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;oxo(diphenoxy)phosphanium

1-[(2R,3S,5S)-5-(hydroxymethyl)-3-methoxy-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[[(2S,4S,5R)-4-methoxy-5-[4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxopyrimidin-1-yl]-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;oxo(diphenoxy)phosphanium (PubChem CID 91223630) has the molecular formula C88H97N8O19P2+ and a molecular weight of 1632.73 g/mol. Its IUPAC name is 1-[(2R,3S,5S)-5-(hydroxymethyl)-3-methoxy-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[[(2S,4S,5R)-4-methoxy-5-[4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxopyrimidin-1-yl]-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;oxo(diphenoxy)phosphanium.

Molecular Properties

Compound Name1-[(2R,3S,5S)-5-(hydroxymethyl)-3-methoxy-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[[(2S,4S,5R)-4-methoxy-5-[4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxopyrimidin-1-yl]-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;oxo(diphenoxy)phosphanium
PubChem CID91223630
Molecular FormulaC88H97N8O19P2+
Molecular Weight1632.73 g/mol
Exact Mass1631.63
IUPAC Name1-[(2R,3S,5S)-5-(hydroxymethyl)-3-methoxy-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[[(2S,4S,5R)-4-methoxy-5-[4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxopyrimidin-1-yl]-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;oxo(diphenoxy)phosphanium
SMILESCOC(=O)[C@H](C)N.COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(NC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)nc2=O)[C@@H](OC)C1C)Oc1ccccc1.COc1ccc(C(Nc2ccn([C@@H]3O[C@H](CO)C(C)[C@@H]3OC)c(=O)n2)(c2ccccc2)c2ccccc2)cc1.O=[P+](Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C41H45N4O9P.C31H33N3O5.C12H10O3P.C4H9NO2/c1-28-35(27-52-55(48,44-29(2)39(46)51-5)54-34-19-13-8-14-20-34)53-38(37(28)50-4)45-26-25-36(42-40(45)47)43-41(30-15-9-6-10-16-30,31-17-11-7-12-18-31)32-21-23-33(49-3)24-22-32;1-21-26(20-35)39-29(28(21)38-3)34-19-18-27(32-30(34)36)33-31(22-10-6-4-7-11-22,23-12-8-5-9-13-23)24-14-16-25(37-2)17-15-24;13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;1-3(5)4(6)7-2/h6-26,28-29,35,37-38H,27H2,1-5H3,(H,44,48)(H,42,43,47);4-19,21,26,28-29,35H,20H2,1-3H3,(H,32,33,36);1-10H;3H,5H2,1-2H3/q;;+1;/t28?,29-,35+,37-,38+,55?;21?,26-,28+,29-;;3-/m01.0/s1
InChIKeyKEPXHGNSBKQVDV-KMTWVQRSSA-N
XLogP14.06
TPSA331.16 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds30
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001632.73
LogP ≤ 514.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze 1-[(2R,3S,5S)-5-(hydroxymethyl)-3-methoxy-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[[(2S,4S,5R)-4-methoxy-5-[4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxopyrimidin-1-yl]-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;oxo(diphenoxy)phosphanium with MolForge

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Related Compounds

1-[(2R,3S,4R)-5-[(1S)-1-hydroxyethyl]-3,4-bis[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methyl (2S)-2-[[[(1R)-1-[(3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]amino]propanoate
CID 160592839
1-[(3aR,4R,6R,6aR)-6-[(1S)-1-hydroxyethyl]-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;hexa-1,3,5-triyne;methyl (2S)-2-[[[(1S)-1-[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]amino]propanoate;tris(phosphanyl)phosphane
CID 159874565
4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]-phosphanylphosphanide;cyclohexyl (2S)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-ethyl-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;1-[(2R,3R,4R,5S)-5-ethyl-3-fluoro-5-(hydroxymethyl)-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methane
CID 159469095
N-[1-[(2R,3S,5S)-5-(hydroxymethyl)-3-methoxy-4-methyloxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
CID 130474505
1-[(2R,4S,5R)-5-(hydroxymethyl)-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one
CID 11803320
2-[[[(2R,3R,4R,5R)-4-fluoro-3-hydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoic acid
CID 90343659
[(2S)-2-[[[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propyl] butanoate
CID 68671418
[(2S)-2-[[[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]-3-phenylpropyl] 2,2-dimethylpropanoate
CID 118205623
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[tris(4-methoxyphenyl)methylamino]pyrimidin-2-one
CID 68542164
propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 123732202
1-[(2R,3S,4S,5S)-5-acetyl-3,4-bis[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;1-[(2R,3S,4R,5R)-5-(1-hydroxyethyl)-3,4-bis[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one
CID 157162505
propan-2-yl (2R)-2-[[[(2S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 90055706

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,5S)-5-(hydroxymethyl)-3-methoxy-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[[(2S,4S,5R)-4-methoxy-5-[4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxopyrimidin-1-yl]-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;oxo(diphenoxy)phosphanium?
The IUPAC name of 1-[(2R,3S,5S)-5-(hydroxymethyl)-3-methoxy-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[[(2S,4S,5R)-4-methoxy-5-[4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxopyrimidin-1-yl]-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;oxo(diphenoxy)phosphanium (CID 91223630) is 1-[(2R,3S,5S)-5-(hydroxymethyl)-3-methoxy-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[[(2S,4S,5R)-4-methoxy-5-[4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxopyrimidin-1-yl]-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;oxo(diphenoxy)phosphanium.
What is the SMILES notation for 1-[(2R,3S,5S)-5-(hydroxymethyl)-3-methoxy-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[[(2S,4S,5R)-4-methoxy-5-[4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxopyrimidin-1-yl]-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;oxo(diphenoxy)phosphanium?
The canonical SMILES for 1-[(2R,3S,5S)-5-(hydroxymethyl)-3-methoxy-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[[(2S,4S,5R)-4-methoxy-5-[4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxopyrimidin-1-yl]-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;oxo(diphenoxy)phosphanium is COC(=O)[C@H](C)N.COC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(NC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)nc2=O)[C@@H](OC)C1C)Oc1ccccc1.COc1ccc(C(Nc2ccn([C@@H]3O[C@H](CO)C(C)[C@@H]3OC)c(=O)n2)(c2ccccc2)c2ccccc2)cc1.O=[P+](Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 1-[(2R,3S,5S)-5-(hydroxymethyl)-3-methoxy-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[[(2S,4S,5R)-4-methoxy-5-[4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxopyrimidin-1-yl]-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;oxo(diphenoxy)phosphanium?
The InChIKey is KEPXHGNSBKQVDV-KMTWVQRSSA-N. The full InChI is InChI=1S/C41H45N4O9P.C31H33N3O5.C12H10O3P.C4H9NO2/c1-28-35(27-52-55(48,44-29(2)39(46)51-5)54-34-19-13-8-14-20-34)53-38(37(28)50-4)45-26-25-36(42-40(45)47)43-41(30-15-9-6-10-16-30,31-17-11-7-12-18-31)32-21-23-33(49-3)24-22-32;1-21-26(20-35)39-29(28(21)38-3)34-19-18-27(32-30(34)36)33-31(22-10-6-4-7-11-22,23-12-8-5-9-13-23)24-14-16-25(37-2)17-15-24;13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12;1-3(5)4(6)7-2/h6-26,28-29,35,37-38H,27H2,1-5H3,(H,44,48)(H,42,43,47);4-19,21,26,28-29,35H,20H2,1-3H3,(H,32,33,36);1-10H;3H,5H2,1-2H3/q;;+1;/t28?,29-,35+,37-,38+,55?;21?,26-,28+,29-;;3-/m01.0/s1.
What are the key properties of 1-[(2R,3S,5S)-5-(hydroxymethyl)-3-methoxy-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[[(2S,4S,5R)-4-methoxy-5-[4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxopyrimidin-1-yl]-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;oxo(diphenoxy)phosphanium?
1-[(2R,3S,5S)-5-(hydroxymethyl)-3-methoxy-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[[(2S,4S,5R)-4-methoxy-5-[4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxopyrimidin-1-yl]-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;oxo(diphenoxy)phosphanium has a molecular weight of 1632.73 g/mol, XLogP of 14.06, 30 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,5S)-5-(hydroxymethyl)-3-methoxy-4-methyloxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[[(2S,4S,5R)-4-methoxy-5-[4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxopyrimidin-1-yl]-3-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate;oxo(diphenoxy)phosphanium is sourced from PubChem (CID 91223630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).