(2R,3R,4R,5R,10R)-3-fluoro-4-hydroxy-3-methyl-10-(2-methylpropyl)-8-oxo-8-phenoxy-7,12,17,23-tetraoxa-1,9,20-triaza-8λ5-phosphatricyclo[16.3.1.12,5]tricosa-18(22),19-diene-11,21-dione

C26H35FN3O9P — CID 72705139

IUPAC(2R,3R,4R,5R,10R)-3-fluoro-4-hydroxy-3-methyl-10-(2-methylpropyl)-8-oxo-8-phenoxy-7,12,17,23-tetraoxa-1,9,20-triaza-8λ5-phosphatricyclo[16.3.1.12,5]tricosa-18(22),19-diene-11,21-dione
SMILESCC(C)C[C@H]1NP(=O)(Oc2ccccc2)OC[C@H]2O[C@@H](n3cc(cnc3=O)OCCCCOC1=O)[C@](C)(F)[C@@H]2O
InChIInChI=1S/C26H35FN3O9P/c1-17(2)13-20-23(32)36-12-8-7-11-35-19-14-28-25(33)30(15-19)24-26(3,27)22(31)21(38-24)16-37-40(34,29-20)39-18-9-5-4-6-10-18/h4-6,9-10,14-15,17,20-22,24,31H,7-8,11-13,16H2,1-3H3,(H,29,34)/t20-,21-,22-,24-,26-,40?/m1/s1
InChIKeyFSQRUGPTIBIXEH-JRAOSZJMSA-N
MW583.55 g/mol
LogP3.15
Rot. Bonds4

About (2R,3R,4R,5R,10R)-3-fluoro-4-hydroxy-3-methyl-10-(2-methylpropyl)-8-oxo-8-phenoxy-7,12,17,23-tetraoxa-1,9,20-triaza-8λ5-phosphatricyclo[16.3.1.12,5]tricosa-18(22),19-diene-11,21-dione

(2R,3R,4R,5R,10R)-3-fluoro-4-hydroxy-3-methyl-10-(2-methylpropyl)-8-oxo-8-phenoxy-7,12,17,23-tetraoxa-1,9,20-triaza-8λ5-phosphatricyclo[16.3.1.12,5]tricosa-18(22),19-diene-11,21-dione (PubChem CID 72705139) has the molecular formula C26H35FN3O9P and a molecular weight of 583.55 g/mol. Its IUPAC name is (2R,3R,4R,5R,10R)-3-fluoro-4-hydroxy-3-methyl-10-(2-methylpropyl)-8-oxo-8-phenoxy-7,12,17,23-tetraoxa-1,9,20-triaza-8λ5-phosphatricyclo[16.3.1.12,5]tricosa-18(22),19-diene-11,21-dione.

Molecular Properties

Compound Name(2R,3R,4R,5R,10R)-3-fluoro-4-hydroxy-3-methyl-10-(2-methylpropyl)-8-oxo-8-phenoxy-7,12,17,23-tetraoxa-1,9,20-triaza-8λ5-phosphatricyclo[16.3.1.12,5]tricosa-18(22),19-diene-11,21-dione
PubChem CID72705139
Molecular FormulaC26H35FN3O9P
Molecular Weight583.55 g/mol
Exact Mass583.21
IUPAC Name(2R,3R,4R,5R,10R)-3-fluoro-4-hydroxy-3-methyl-10-(2-methylpropyl)-8-oxo-8-phenoxy-7,12,17,23-tetraoxa-1,9,20-triaza-8λ5-phosphatricyclo[16.3.1.12,5]tricosa-18(22),19-diene-11,21-dione
SMILESCC(C)C[C@H]1NP(=O)(Oc2ccccc2)OC[C@H]2O[C@@H](n3cc(cnc3=O)OCCCCOC1=O)[C@](C)(F)[C@@H]2O
InChIInChI=1S/C26H35FN3O9P/c1-17(2)13-20-23(32)36-12-8-7-11-35-19-14-28-25(33)30(15-19)24-26(3,27)22(31)21(38-24)16-37-40(34,29-20)39-18-9-5-4-6-10-18/h4-6,9-10,14-15,17,20-22,24,31H,7-8,11-13,16H2,1-3H3,(H,29,34)/t20-,21-,22-,24-,26-,40?/m1/s1
InChIKeyFSQRUGPTIBIXEH-JRAOSZJMSA-N
XLogP3.15
TPSA147.44 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.55
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze (2R,3R,4R,5R,10R)-3-fluoro-4-hydroxy-3-methyl-10-(2-methylpropyl)-8-oxo-8-phenoxy-7,12,17,23-tetraoxa-1,9,20-triaza-8λ5-phosphatricyclo[16.3.1.12,5]tricosa-18(22),19-diene-11,21-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,10R)-3-fluoro-4-hydroxy-3-methyl-10-(2-methylpropyl)-8-oxo-8-phenoxy-7,12,17,23-tetraoxa-1,9,20-triaza-8λ5-phosphatricyclo[16.3.1.12,5]tricosa-18(22),19-diene-11,21-dione?
The IUPAC name of (2R,3R,4R,5R,10R)-3-fluoro-4-hydroxy-3-methyl-10-(2-methylpropyl)-8-oxo-8-phenoxy-7,12,17,23-tetraoxa-1,9,20-triaza-8λ5-phosphatricyclo[16.3.1.12,5]tricosa-18(22),19-diene-11,21-dione (CID 72705139) is (2R,3R,4R,5R,10R)-3-fluoro-4-hydroxy-3-methyl-10-(2-methylpropyl)-8-oxo-8-phenoxy-7,12,17,23-tetraoxa-1,9,20-triaza-8λ5-phosphatricyclo[16.3.1.12,5]tricosa-18(22),19-diene-11,21-dione.
What is the SMILES notation for (2R,3R,4R,5R,10R)-3-fluoro-4-hydroxy-3-methyl-10-(2-methylpropyl)-8-oxo-8-phenoxy-7,12,17,23-tetraoxa-1,9,20-triaza-8λ5-phosphatricyclo[16.3.1.12,5]tricosa-18(22),19-diene-11,21-dione?
The canonical SMILES for (2R,3R,4R,5R,10R)-3-fluoro-4-hydroxy-3-methyl-10-(2-methylpropyl)-8-oxo-8-phenoxy-7,12,17,23-tetraoxa-1,9,20-triaza-8λ5-phosphatricyclo[16.3.1.12,5]tricosa-18(22),19-diene-11,21-dione is CC(C)C[C@H]1NP(=O)(Oc2ccccc2)OC[C@H]2O[C@@H](n3cc(cnc3=O)OCCCCOC1=O)[C@](C)(F)[C@@H]2O.
What is the InChIKey of (2R,3R,4R,5R,10R)-3-fluoro-4-hydroxy-3-methyl-10-(2-methylpropyl)-8-oxo-8-phenoxy-7,12,17,23-tetraoxa-1,9,20-triaza-8λ5-phosphatricyclo[16.3.1.12,5]tricosa-18(22),19-diene-11,21-dione?
The InChIKey is FSQRUGPTIBIXEH-JRAOSZJMSA-N. The full InChI is InChI=1S/C26H35FN3O9P/c1-17(2)13-20-23(32)36-12-8-7-11-35-19-14-28-25(33)30(15-19)24-26(3,27)22(31)21(38-24)16-37-40(34,29-20)39-18-9-5-4-6-10-18/h4-6,9-10,14-15,17,20-22,24,31H,7-8,11-13,16H2,1-3H3,(H,29,34)/t20-,21-,22-,24-,26-,40?/m1/s1.
What are the key properties of (2R,3R,4R,5R,10R)-3-fluoro-4-hydroxy-3-methyl-10-(2-methylpropyl)-8-oxo-8-phenoxy-7,12,17,23-tetraoxa-1,9,20-triaza-8λ5-phosphatricyclo[16.3.1.12,5]tricosa-18(22),19-diene-11,21-dione?
(2R,3R,4R,5R,10R)-3-fluoro-4-hydroxy-3-methyl-10-(2-methylpropyl)-8-oxo-8-phenoxy-7,12,17,23-tetraoxa-1,9,20-triaza-8λ5-phosphatricyclo[16.3.1.12,5]tricosa-18(22),19-diene-11,21-dione has a molecular weight of 583.55 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,10R)-3-fluoro-4-hydroxy-3-methyl-10-(2-methylpropyl)-8-oxo-8-phenoxy-7,12,17,23-tetraoxa-1,9,20-triaza-8λ5-phosphatricyclo[16.3.1.12,5]tricosa-18(22),19-diene-11,21-dione is sourced from PubChem (CID 72705139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).