propan-2-yl (2R)-2-[[[(2R,3R)-5-[4-[(2,2-dimethyl-3,4-dihydrochromene-6-carbonyl)amino]-2-oxopyrimidin-1-yl]-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

C33H39F2N4O10P — CID 126731174

About propan-2-yl (2R)-2-[[[(2R,3R)-5-[4-[(2,2-dimethyl-3,4-dihydrochromene-6-carbonyl)amino]-2-oxopyrimidin-1-yl]-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

propan-2-yl (2R)-2-[[[(2R,3R)-5-[4-[(2,2-dimethyl-3,4-dihydrochromene-6-carbonyl)amino]-2-oxopyrimidin-1-yl]-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate (PubChem CID 126731174) has the molecular formula C33H39F2N4O10P and a molecular weight of 720.66 g/mol. Its IUPAC name is propan-2-yl (2R)-2-[[[(2R,3R)-5-[4-[(2,2-dimethyl-3,4-dihydrochromene-6-carbonyl)amino]-2-oxopyrimidin-1-yl]-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate.

Molecular Properties

• Compound Name: propan-2-yl (2R)-2-[[[(2R,3R)-5-[4-[(2,2-dimethyl-3,4-dihydrochromene-6-carbonyl)amino]-2-oxopyrimidin-1-yl]-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
• PubChem CID: 126731174
• Molecular Formula: C33H39F2N4O10P
• Molecular Weight: 720.66 g/mol
• Exact Mass: 720.24
• IUPAC Name: propan-2-yl (2R)-2-[[[(2R,3R)-5-[4-[(2,2-dimethyl-3,4-dihydrochromene-6-carbonyl)amino]-2-oxopyrimidin-1-yl]-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
• SMILES: CC(C)OC(=O)[C@@H](C)NP(=O)(OC[C@H]1OC(n2ccc(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)nc2=O)C(F)(F)[C@@H]1O)Oc1ccccc1
• InChI: InChI=1S/C33H39F2N4O10P/c1-19(2)46-29(42)20(3)38-50(44,49-23-9-7-6-8-10-23)45-18-25-27(40)33(34,35)30(47-25)39-16-14-26(37-31(39)43)36-28(41)22-11-12-24-21(17-22)13-15-32(4,5)48-24/h6-12,14,16-17,19-20,25,27,30,40H,13,15,18H2,1-5H3,(H,38,44)(H,36,37,41,43)/t20-,25-,27-,30?,50?/m1/s1
• InChIKey: SCOJVZXJUWRPRE-RQKMTEOISA-N
• XLogP: 4.63
• TPSA: 176.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	720.66
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-2-[[[(2R,3R)-5-[4-[(2,2-dimethyl-3,4-dihydrochromene-6-carbonyl)amino]-2-oxopyrimidin-1-yl]-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?

The IUPAC name of propan-2-yl (2R)-2-[[[(2R,3R)-5-[4-[(2,2-dimethyl-3,4-dihydrochromene-6-carbonyl)amino]-2-oxopyrimidin-1-yl]-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate (CID 126731174) is propan-2-yl (2R)-2-[[[(2R,3R)-5-[4-[(2,2-dimethyl-3,4-dihydrochromene-6-carbonyl)amino]-2-oxopyrimidin-1-yl]-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate.

What is the SMILES notation for propan-2-yl (2R)-2-[[[(2R,3R)-5-[4-[(2,2-dimethyl-3,4-dihydrochromene-6-carbonyl)amino]-2-oxopyrimidin-1-yl]-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?

The canonical SMILES for propan-2-yl (2R)-2-[[[(2R,3R)-5-[4-[(2,2-dimethyl-3,4-dihydrochromene-6-carbonyl)amino]-2-oxopyrimidin-1-yl]-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate is CC(C)OC(=O)[C@@H](C)NP(=O)(OC[C@H]1OC(n2ccc(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)nc2=O)C(F)(F)[C@@H]1O)Oc1ccccc1.

What is the InChIKey of propan-2-yl (2R)-2-[[[(2R,3R)-5-[4-[(2,2-dimethyl-3,4-dihydrochromene-6-carbonyl)amino]-2-oxopyrimidin-1-yl]-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?

The InChIKey is SCOJVZXJUWRPRE-RQKMTEOISA-N. The full InChI is InChI=1S/C33H39F2N4O10P/c1-19(2)46-29(42)20(3)38-50(44,49-23-9-7-6-8-10-23)45-18-25-27(40)33(34,35)30(47-25)39-16-14-26(37-31(39)43)36-28(41)22-11-12-24-21(17-22)13-15-32(4,5)48-24/h6-12,14,16-17,19-20,25,27,30,40H,13,15,18H2,1-5H3,(H,38,44)(H,36,37,41,43)/t20-,25-,27-,30?,50?/m1/s1.

What are the key properties of propan-2-yl (2R)-2-[[[(2R,3R)-5-[4-[(2,2-dimethyl-3,4-dihydrochromene-6-carbonyl)amino]-2-oxopyrimidin-1-yl]-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate?

propan-2-yl (2R)-2-[[[(2R,3R)-5-[4-[(2,2-dimethyl-3,4-dihydrochromene-6-carbonyl)amino]-2-oxopyrimidin-1-yl]-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate has a molecular weight of 720.66 g/mol, XLogP of 4.63, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl (2R)-2-[[[(2R,3R)-5-[4-[(2,2-dimethyl-3,4-dihydrochromene-6-carbonyl)amino]-2-oxopyrimidin-1-yl]-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate is sourced from PubChem (CID 126731174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).