[(2R,3S)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]-3-methylpentyl] 2,2-dimethylpropanoate

C27H41N4O9P — CID 24990550

About [(2R,3S)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]-3-methylpentyl] 2,2-dimethylpropanoate

[(2R,3S)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]-3-methylpentyl] 2,2-dimethylpropanoate (PubChem CID 24990550) has the molecular formula C27H41N4O9P and a molecular weight of 596.62 g/mol. Its IUPAC name is [(2R,3S)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]-3-methylpentyl] 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [(2R,3S)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]-3-methylpentyl] 2,2-dimethylpropanoate
• PubChem CID: 24990550
• Molecular Formula: C27H41N4O9P
• Molecular Weight: 596.62 g/mol
• Exact Mass: 596.26
• IUPAC Name: [(2R,3S)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]-3-methylpentyl] 2,2-dimethylpropanoate
• SMILES: CC[C@H](C)[C@H](COC(=O)C(C)(C)C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1O)Oc1ccccc1
• InChI: InChI=1S/C27H41N4O9P/c1-7-17(2)19(15-37-24(33)26(3,4)5)30-41(36,40-18-11-9-8-10-12-18)38-16-20-22(32)27(6,35)23(39-20)31-14-13-21(28)29-25(31)34/h8-14,17,19-20,22-23,32,35H,7,15-16H2,1-6H3,(H,30,36)(H2,28,29,34)/t17-,19-,20+,22+,23+,27+,41?/m0/s1
• InChIKey: CYDMOTSLXRZHDE-RGCGPTMSSA-N
• XLogP: 2.63
• TPSA: 184.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	596.62
LogP ≤ 5	2.63
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,3S)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]-3-methylpentyl] 2,2-dimethylpropanoate?

The IUPAC name of [(2R,3S)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]-3-methylpentyl] 2,2-dimethylpropanoate (CID 24990550) is [(2R,3S)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]-3-methylpentyl] 2,2-dimethylpropanoate.

What is the SMILES notation for [(2R,3S)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]-3-methylpentyl] 2,2-dimethylpropanoate?

The canonical SMILES for [(2R,3S)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]-3-methylpentyl] 2,2-dimethylpropanoate is CC[C@H](C)[C@H](COC(=O)C(C)(C)C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(O)[C@@H]1O)Oc1ccccc1.

What is the InChIKey of [(2R,3S)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]-3-methylpentyl] 2,2-dimethylpropanoate?

The InChIKey is CYDMOTSLXRZHDE-RGCGPTMSSA-N. The full InChI is InChI=1S/C27H41N4O9P/c1-7-17(2)19(15-37-24(33)26(3,4)5)30-41(36,40-18-11-9-8-10-12-18)38-16-20-22(32)27(6,35)23(39-20)31-14-13-21(28)29-25(31)34/h8-14,17,19-20,22-23,32,35H,7,15-16H2,1-6H3,(H,30,36)(H2,28,29,34)/t17-,19-,20+,22+,23+,27+,41?/m0/s1.

What are the key properties of [(2R,3S)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]-3-methylpentyl] 2,2-dimethylpropanoate?

[(2R,3S)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]-3-methylpentyl] 2,2-dimethylpropanoate has a molecular weight of 596.62 g/mol, XLogP of 2.63, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3S)-2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]-3-methylpentyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 24990550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).