ethane;methyl 2-[[[(5R)-5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]methoxy-(4-chlorophenoxy)phosphanyl]amino]-2-methylpropanoate;(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-triene

C33H43ClF4N5O5P — CID 143326939

About ethane;methyl 2-[[[(5R)-5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]methoxy-(4-chlorophenoxy)phosphanyl]amino]-2-methylpropanoate;(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-triene

ethane;methyl 2-[[[(5R)-5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]methoxy-(4-chlorophenoxy)phosphanyl]amino]-2-methylpropanoate;(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-triene (PubChem CID 143326939) has the molecular formula C33H43ClF4N5O5P and a molecular weight of 732.16 g/mol. Its IUPAC name is ethane;methyl 2-[[[(5R)-5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]methoxy-(4-chlorophenoxy)phosphanyl]amino]-2-methylpropanoate;(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-triene.

Molecular Properties

• Compound Name: ethane;methyl 2-[[[(5R)-5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]methoxy-(4-chlorophenoxy)phosphanyl]amino]-2-methylpropanoate;(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-triene
• PubChem CID: 143326939
• Molecular Formula: C33H43ClF4N5O5P
• Molecular Weight: 732.16 g/mol
• Exact Mass: 731.26
• IUPAC Name: ethane;methyl 2-[[[(5R)-5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]methoxy-(4-chlorophenoxy)phosphanyl]amino]-2-methylpropanoate;(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-triene
• SMILES: C=C/C=C\C=C(/C)C(F)(F)F.CC.COC(=O)C(C)(C)NP(OCC1CC(C)[C@H](n2cc(F)c3c(N)ncnc32)O1)Oc1ccc(Cl)cc1
• InChI: InChI=1S/C23H28ClFN5O5P.C8H9F3.C2H6/c1-13-9-16(34-21(13)30-10-17(25)18-19(26)27-12-28-20(18)30)11-33-36(29-23(2,3)22(31)32-4)35-15-7-5-14(24)6-8-15;1-3-4-5-6-7(2)8(9,10)11;1-2/h5-8,10,12-13,16,21,29H,9,11H2,1-4H3,(H2,26,27,28);3-6H,1H2,2H3;1-2H3/b;5-4-,7-6+;/t13?,16?,21-,36?;;/m1../s1
• InChIKey: GEXNCBQZTOTAGG-DSTNKZDWSA-N
• XLogP: 8.86
• TPSA: 122.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.16
LogP ≤ 5	8.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-[[[(5R)-5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]methoxy-(4-chlorophenoxy)phosphanyl]amino]-2-methylpropanoate;(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-triene?

The IUPAC name of ethane;methyl 2-[[[(5R)-5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]methoxy-(4-chlorophenoxy)phosphanyl]amino]-2-methylpropanoate;(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-triene (CID 143326939) is ethane;methyl 2-[[[(5R)-5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]methoxy-(4-chlorophenoxy)phosphanyl]amino]-2-methylpropanoate;(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-triene.

What is the SMILES notation for ethane;methyl 2-[[[(5R)-5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]methoxy-(4-chlorophenoxy)phosphanyl]amino]-2-methylpropanoate;(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-triene?

The canonical SMILES for ethane;methyl 2-[[[(5R)-5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]methoxy-(4-chlorophenoxy)phosphanyl]amino]-2-methylpropanoate;(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-triene is C=C/C=C\C=C(/C)C(F)(F)F.CC.COC(=O)C(C)(C)NP(OCC1CC(C)[C@H](n2cc(F)c3c(N)ncnc32)O1)Oc1ccc(Cl)cc1.

What is the InChIKey of ethane;methyl 2-[[[(5R)-5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]methoxy-(4-chlorophenoxy)phosphanyl]amino]-2-methylpropanoate;(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-triene?

The InChIKey is GEXNCBQZTOTAGG-DSTNKZDWSA-N. The full InChI is InChI=1S/C23H28ClFN5O5P.C8H9F3.C2H6/c1-13-9-16(34-21(13)30-10-17(25)18-19(26)27-12-28-20(18)30)11-33-36(29-23(2,3)22(31)32-4)35-15-7-5-14(24)6-8-15;1-3-4-5-6-7(2)8(9,10)11;1-2/h5-8,10,12-13,16,21,29H,9,11H2,1-4H3,(H2,26,27,28);3-6H,1H2,2H3;1-2H3/b;5-4-,7-6+;/t13?,16?,21-,36?;;/m1../s1.

What are the key properties of ethane;methyl 2-[[[(5R)-5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]methoxy-(4-chlorophenoxy)phosphanyl]amino]-2-methylpropanoate;(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-triene?

ethane;methyl 2-[[[(5R)-5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]methoxy-(4-chlorophenoxy)phosphanyl]amino]-2-methylpropanoate;(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-triene has a molecular weight of 732.16 g/mol, XLogP of 8.86, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;methyl 2-[[[(5R)-5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-4-methyloxolan-2-yl]methoxy-(4-chlorophenoxy)phosphanyl]amino]-2-methylpropanoate;(3Z,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-triene is sourced from PubChem (CID 143326939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).