(2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(3,3-diphenylpropyl)-3-hydroxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide

C33H38N4O10 — CID 142045505

About (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(3,3-diphenylpropyl)-3-hydroxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide

(2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(3,3-diphenylpropyl)-3-hydroxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 142045505) has the molecular formula C33H38N4O10 and a molecular weight of 650.69 g/mol. Its IUPAC name is (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(3,3-diphenylpropyl)-3-hydroxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

• Compound Name: (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(3,3-diphenylpropyl)-3-hydroxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide
• PubChem CID: 142045505
• Molecular Formula: C33H38N4O10
• Molecular Weight: 650.69 g/mol
• Exact Mass: 650.26
• IUPAC Name: (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(3,3-diphenylpropyl)-3-hydroxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide
• SMILES: CO[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1[C@@H](O[C@H]1OC(C(=O)NCCC(c2ccccc2)c2ccccc2)=C[C@H](C)[C@@H]1O)C(N)=O
• InChI: InChI=1S/C33H38N4O10/c1-18-17-22(30(42)35-15-13-21(19-9-5-3-6-10-19)20-11-7-4-8-12-20)45-32(24(18)39)47-28(29(34)41)27-26(44-2)25(40)31(46-27)37-16-14-23(38)36-33(37)43/h3-12,14,16-18,21,24-28,31-32,39-40H,13,15H2,1-2H3,(H2,34,41)(H,35,42)(H,36,38,43)/t18-,24-,25+,26-,27-,28+,31+,32+/m0/s1
• InChIKey: WUMDZRYKXDVEES-GAIWLCTGSA-N
• XLogP: 0.26
• TPSA: 204.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	650.69
LogP ≤ 5	0.26
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(3,3-diphenylpropyl)-3-hydroxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide?

The IUPAC name of (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(3,3-diphenylpropyl)-3-hydroxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 142045505) is (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(3,3-diphenylpropyl)-3-hydroxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide.

What is the SMILES notation for (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(3,3-diphenylpropyl)-3-hydroxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide?

The canonical SMILES for (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(3,3-diphenylpropyl)-3-hydroxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide is CO[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1[C@@H](O[C@H]1OC(C(=O)NCCC(c2ccccc2)c2ccccc2)=C[C@H](C)[C@@H]1O)C(N)=O.

What is the InChIKey of (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(3,3-diphenylpropyl)-3-hydroxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide?

The InChIKey is WUMDZRYKXDVEES-GAIWLCTGSA-N. The full InChI is InChI=1S/C33H38N4O10/c1-18-17-22(30(42)35-15-13-21(19-9-5-3-6-10-19)20-11-7-4-8-12-20)45-32(24(18)39)47-28(29(34)41)27-26(44-2)25(40)31(46-27)37-16-14-23(38)36-33(37)43/h3-12,14,16-18,21,24-28,31-32,39-40H,13,15H2,1-2H3,(H2,34,41)(H,35,42)(H,36,38,43)/t18-,24-,25+,26-,27-,28+,31+,32+/m0/s1.

What are the key properties of (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(3,3-diphenylpropyl)-3-hydroxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide?

(2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(3,3-diphenylpropyl)-3-hydroxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 650.69 g/mol, XLogP of 0.26, 12 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-N-(3,3-diphenylpropyl)-3-hydroxy-4-methyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 142045505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).