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

C90H90N7O17P — CID 160592839

IUPAC1-[(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
SMILESCOC(=O)[C@H](C)NP(=O)(Oc1ccccc1)O[C@H](C)C1O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1O.COc1ccc(C(Nc2ccn([C@@H]3OC([C@H](C)O)[C@@H](OC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)[C@@H]3OC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)c(=O)n2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C70H63N3O8.C20H27N4O9P/c1-49(74)63-64(80-69(53-27-15-7-16-28-53,54-29-17-8-18-30-54)57-37-43-60(77-3)44-38-57)65(81-70(55-31-19-9-20-32-55,56-33-21-10-22-34-56)58-39-45-61(78-4)46-40-58)66(79-63)73-48-47-62(71-67(73)75)72-68(50-23-11-5-12-24-50,51-25-13-6-14-26-51)52-35-41-59(76-2)42-36-52;1-11(19(27)30-3)23-34(29,33-13-7-5-4-6-8-13)32-12(2)17-15(25)16(26)18(31-17)24-10-9-14(21)22-20(24)28/h5-49,63-66,74H,1-4H3,(H,71,72,75);4-12,15-18,25-26H,1-3H3,(H,23,29)(H2,21,22,28)/t49-,63?,64+,65-,66+;11-,12+,15-,16-,17?,18+,34?/m00/s1
InChIKeyRDGDZDKRIMLEON-ZLDXMIBQSA-N
MW1572.72 g/mol
LogP12.89
Rot. Bonds29

About 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

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 (PubChem CID 160592839) has the molecular formula C90H90N7O17P and a molecular weight of 1572.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID160592839
Molecular FormulaC90H90N7O17P
Molecular Weight1572.72 g/mol
Exact Mass1571.61
IUPAC Name1-[(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
SMILESCOC(=O)[C@H](C)NP(=O)(Oc1ccccc1)O[C@H](C)C1O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1O.COc1ccc(C(Nc2ccn([C@@H]3OC([C@H](C)O)[C@@H](OC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)[C@@H]3OC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)c(=O)n2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C70H63N3O8.C20H27N4O9P/c1-49(74)63-64(80-69(53-27-15-7-16-28-53,54-29-17-8-18-30-54)57-37-43-60(77-3)44-38-57)65(81-70(55-31-19-9-20-32-55,56-33-21-10-22-34-56)58-39-45-61(78-4)46-40-58)66(79-63)73-48-47-62(71-67(73)75)72-68(50-23-11-5-12-24-50,51-25-13-6-14-26-51)52-35-41-59(76-2)42-36-52;1-11(19(27)30-3)23-34(29,33-13-7-5-4-6-8-13)32-12(2)17-15(25)16(26)18(31-17)24-10-9-14(21)22-20(24)28/h5-49,63-66,74H,1-4H3,(H,71,72,75);4-12,15-18,25-26H,1-3H3,(H,23,29)(H2,21,22,28)/t49-,63?,64+,65-,66+;11-,12+,15-,16-,17?,18+,34?/m00/s1
InChIKeyRDGDZDKRIMLEON-ZLDXMIBQSA-N
XLogP12.89
TPSA306.99 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds29
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001572.72
LogP ≤ 512.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
methyl (2S)-2-[[[(1R)-1-[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]amino]propanoate
CID 66804373
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
methyl (2S)-2-[[[(1S)-1-[(2S,3S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]amino]propanoate
CID 66804580
4-amino-1-[(2R,3S,4S,5S)-5-[1-[bis(4-methoxyphenyl)-phenylmethoxy]-2-oxopropyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
CID 66991095
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
1-[(4R,5R)-3,3-difluoro-5-[(1R)-1-hydroxyethyl]-4-[(4-methoxyphenyl)-diphenylmethoxy]oxolan-2-yl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]pyrimidin-2-one
CID 59503986
4-amino-1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
CID 14410867
4-amino-1-[(2R,3R,4R,5S)-5-[1-[bis(4-methoxyphenyl)-phenylmethoxy]-2-oxo-2-phenylethyl]-4-hydroxy-3-(2-methoxyethoxy)oxolan-2-yl]pyrimidin-2-one
CID 21356198
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
propan-2-yl (2S)-2-[[[(1S)-1-[(2S,4R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-4-(fluoromethyl)-3-hydroxyoxolan-2-yl]ethoxy]-phenoxyphosphoryl]amino]propanoate
CID 130426058
propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 123732202

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)[C@H](C)NP(=O)(Oc1ccccc1)O[C@H](C)C1O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1O.COc1ccc(C(Nc2ccn([C@@H]3OC([C@H](C)O)[C@@H](OC(c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)[C@@H]3OC(c3ccccc3)(c3ccccc3)c3ccc(OC)cc3)c(=O)n2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is RDGDZDKRIMLEON-ZLDXMIBQSA-N. The full InChI is InChI=1S/C70H63N3O8.C20H27N4O9P/c1-49(74)63-64(80-69(53-27-15-7-16-28-53,54-29-17-8-18-30-54)57-37-43-60(77-3)44-38-57)65(81-70(55-31-19-9-20-32-55,56-33-21-10-22-34-56)58-39-45-61(78-4)46-40-58)66(79-63)73-48-47-62(71-67(73)75)72-68(50-23-11-5-12-24-50,51-25-13-6-14-26-51)52-35-41-59(76-2)42-36-52;1-11(19(27)30-3)23-34(29,33-13-7-5-4-6-8-13)32-12(2)17-15(25)16(26)18(31-17)24-10-9-14(21)22-20(24)28/h5-49,63-66,74H,1-4H3,(H,71,72,75);4-12,15-18,25-26H,1-3H3,(H,23,29)(H2,21,22,28)/t49-,63?,64+,65-,66+;11-,12+,15-,16-,17?,18+,34?/m00/s1.
What are the key properties of 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?
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 has a molecular weight of 1572.72 g/mol, XLogP of 12.89, 29 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160592839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).