[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxy-[4-(5-methylthiophen-2-yl)phenoxy]-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium

C27H34FN3O9PS+ — CID 118860330

About [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxy-[4-(5-methylthiophen-2-yl)phenoxy]-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium

[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxy-[4-(5-methylthiophen-2-yl)phenoxy]-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium (PubChem CID 118860330) has the molecular formula C27H34FN3O9PS+ and a molecular weight of 626.62 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxy-[4-(5-methylthiophen-2-yl)phenoxy]-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium.

Molecular Properties

• Compound Name: [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxy-[4-(5-methylthiophen-2-yl)phenoxy]-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium
• PubChem CID: 118860330
• Molecular Formula: C27H34FN3O9PS+
• Molecular Weight: 626.62 g/mol
• Exact Mass: 626.17
• IUPAC Name: [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxy-[4-(5-methylthiophen-2-yl)phenoxy]-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium
• SMILES: Cc1ccc(-c2ccc(O[P+](O)(N[C@@H](C)C(=O)OC(C)C)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@](C)(F)[C@@H]3O)cc2)s1
• InChI: InChI=1S/C27H33FN3O9PS/c1-15(2)38-24(34)17(4)30-41(36,40-19-9-7-18(8-10-19)21-11-6-16(3)42-21)37-14-20-23(33)27(5,28)25(39-20)31-13-12-22(32)29-26(31)35/h6-13,15,17,20,23,25,30,33,36H,14H2,1-5H3/p+1/t17-,20+,23+,25+,27+,41?/m0/s1
• InChIKey: JAFOBEROMDCYHN-BRJLMQFQSA-O
• XLogP: 3.26
• TPSA: 161.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.62
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	4
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 [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxy-[4-(5-methylthiophen-2-yl)phenoxy]-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium?

The IUPAC name of [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxy-[4-(5-methylthiophen-2-yl)phenoxy]-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium (CID 118860330) is [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxy-[4-(5-methylthiophen-2-yl)phenoxy]-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium.

What is the SMILES notation for [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxy-[4-(5-methylthiophen-2-yl)phenoxy]-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium?

The canonical SMILES for [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxy-[4-(5-methylthiophen-2-yl)phenoxy]-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium is Cc1ccc(-c2ccc(O[P+](O)(N[C@@H](C)C(=O)OC(C)C)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@](C)(F)[C@@H]3O)cc2)s1.

What is the InChIKey of [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxy-[4-(5-methylthiophen-2-yl)phenoxy]-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium?

The InChIKey is JAFOBEROMDCYHN-BRJLMQFQSA-O. The full InChI is InChI=1S/C27H33FN3O9PS/c1-15(2)38-24(34)17(4)30-41(36,40-19-9-7-18(8-10-19)21-11-6-16(3)42-21)37-14-20-23(33)27(5,28)25(39-20)31-13-12-22(32)29-26(31)35/h6-13,15,17,20,23,25,30,33,36H,14H2,1-5H3/p+1/t17-,20+,23+,25+,27+,41?/m0/s1.

What are the key properties of [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxy-[4-(5-methylthiophen-2-yl)phenoxy]-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium?

[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxy-[4-(5-methylthiophen-2-yl)phenoxy]-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium has a molecular weight of 626.62 g/mol, XLogP of 3.26, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-hydroxy-[4-(5-methylthiophen-2-yl)phenoxy]-[[(2S)-1-oxo-1-propan-2-yloxypropan-2-yl]amino]phosphanium is sourced from PubChem (CID 118860330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).