[4-(5-chloro-1,3-thiazol-4-yl)phenoxy]-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]-hydroxy-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]phosphanium

C23H26ClFN4O9PS+ — CID 118860343

About [4-(5-chloro-1,3-thiazol-4-yl)phenoxy]-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]-hydroxy-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]phosphanium

[4-(5-chloro-1,3-thiazol-4-yl)phenoxy]-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]-hydroxy-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]phosphanium (PubChem CID 118860343) has the molecular formula C23H26ClFN4O9PS+ and a molecular weight of 619.97 g/mol. Its IUPAC name is [4-(5-chloro-1,3-thiazol-4-yl)phenoxy]-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]-hydroxy-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]phosphanium.

Molecular Properties

• Compound Name: [4-(5-chloro-1,3-thiazol-4-yl)phenoxy]-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]-hydroxy-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]phosphanium
• PubChem CID: 118860343
• Molecular Formula: C23H26ClFN4O9PS+
• Molecular Weight: 619.97 g/mol
• Exact Mass: 619.08
• IUPAC Name: [4-(5-chloro-1,3-thiazol-4-yl)phenoxy]-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]-hydroxy-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]phosphanium
• SMILES: COC(=O)[C@H](C)N[P+](O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccc(-c2ncsc2Cl)cc1
• InChI: InChI=1S/C23H25ClFN4O9PS/c1-12(20(32)35-3)28-39(34,38-14-6-4-13(5-7-14)17-19(24)40-11-26-17)36-10-15-18(31)23(2,25)21(37-15)29-9-8-16(30)27-22(29)33/h4-9,11-12,15,18,21,28,31,34H,10H2,1-3H3/p+1/t12-,15+,18+,21+,23+,39?/m0/s1
• InChIKey: JDUVLUORUILPIC-LNIFPWCHSA-O
• XLogP: 2.22
• TPSA: 174.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.97
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-1,3-thiazol-4-yl)phenoxy]-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]-hydroxy-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]phosphanium?

The IUPAC name of [4-(5-chloro-1,3-thiazol-4-yl)phenoxy]-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]-hydroxy-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]phosphanium (CID 118860343) is [4-(5-chloro-1,3-thiazol-4-yl)phenoxy]-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]-hydroxy-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]phosphanium.

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

The canonical SMILES for [4-(5-chloro-1,3-thiazol-4-yl)phenoxy]-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]-hydroxy-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]phosphanium is COC(=O)[C@H](C)N[P+](O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccc(-c2ncsc2Cl)cc1.

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

The InChIKey is JDUVLUORUILPIC-LNIFPWCHSA-O. The full InChI is InChI=1S/C23H25ClFN4O9PS/c1-12(20(32)35-3)28-39(34,38-14-6-4-13(5-7-14)17-19(24)40-11-26-17)36-10-15-18(31)23(2,25)21(37-15)29-9-8-16(30)27-22(29)33/h4-9,11-12,15,18,21,28,31,34H,10H2,1-3H3/p+1/t12-,15+,18+,21+,23+,39?/m0/s1.

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

[4-(5-chloro-1,3-thiazol-4-yl)phenoxy]-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]-hydroxy-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]phosphanium has a molecular weight of 619.97 g/mol, XLogP of 2.22, 10 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(5-chloro-1,3-thiazol-4-yl)phenoxy]-[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy]-hydroxy-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]phosphanium is sourced from PubChem (CID 118860343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).