[(4R,6S,7R)-4-(4-amino-2-oxopyrimidin-1-yl)-6-[[[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-5-oxaspiro[2.4]heptan-7-yl]methyl 2-methylpropanoate

C32H39N4O9P — CID 143920093

About [(4R,6S,7R)-4-(4-amino-2-oxopyrimidin-1-yl)-6-[[[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-5-oxaspiro[2.4]heptan-7-yl]methyl 2-methylpropanoate

[(4R,6S,7R)-4-(4-amino-2-oxopyrimidin-1-yl)-6-[[[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-5-oxaspiro[2.4]heptan-7-yl]methyl 2-methylpropanoate (PubChem CID 143920093) has the molecular formula C32H39N4O9P and a molecular weight of 654.66 g/mol. Its IUPAC name is [(4R,6S,7R)-4-(4-amino-2-oxopyrimidin-1-yl)-6-[[[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-5-oxaspiro[2.4]heptan-7-yl]methyl 2-methylpropanoate.

Molecular Properties

• Compound Name: [(4R,6S,7R)-4-(4-amino-2-oxopyrimidin-1-yl)-6-[[[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-5-oxaspiro[2.4]heptan-7-yl]methyl 2-methylpropanoate
• PubChem CID: 143920093
• Molecular Formula: C32H39N4O9P
• Molecular Weight: 654.66 g/mol
• Exact Mass: 654.25
• IUPAC Name: [(4R,6S,7R)-4-(4-amino-2-oxopyrimidin-1-yl)-6-[[[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-5-oxaspiro[2.4]heptan-7-yl]methyl 2-methylpropanoate
• SMILES: CC(C)C(=O)OC[C@@H]1[C@@H](COP(=O)(N[C@@H](C)C(=O)OCc2ccccc2)Oc2ccccc2)O[C@@H](n2ccc(N)nc2=O)C12CC2
• InChI: InChI=1S/C32H39N4O9P/c1-21(2)28(37)42-19-25-26(44-30(32(25)15-16-32)36-17-14-27(33)34-31(36)39)20-43-46(40,45-24-12-8-5-9-13-24)35-22(3)29(38)41-18-23-10-6-4-7-11-23/h4-14,17,21-22,25-26,30H,15-16,18-20H2,1-3H3,(H,35,40)(H2,33,34,39)/t22-,25+,26+,30+,46?/m0/s1
• InChIKey: YJNOAAUXUHVYIN-ZZMXRBOCSA-N
• XLogP: 4.24
• TPSA: 170.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.66
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
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 [(4R,6S,7R)-4-(4-amino-2-oxopyrimidin-1-yl)-6-[[[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-5-oxaspiro[2.4]heptan-7-yl]methyl 2-methylpropanoate?

The IUPAC name of [(4R,6S,7R)-4-(4-amino-2-oxopyrimidin-1-yl)-6-[[[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-5-oxaspiro[2.4]heptan-7-yl]methyl 2-methylpropanoate (CID 143920093) is [(4R,6S,7R)-4-(4-amino-2-oxopyrimidin-1-yl)-6-[[[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-5-oxaspiro[2.4]heptan-7-yl]methyl 2-methylpropanoate.

What is the SMILES notation for [(4R,6S,7R)-4-(4-amino-2-oxopyrimidin-1-yl)-6-[[[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-5-oxaspiro[2.4]heptan-7-yl]methyl 2-methylpropanoate?

The canonical SMILES for [(4R,6S,7R)-4-(4-amino-2-oxopyrimidin-1-yl)-6-[[[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-5-oxaspiro[2.4]heptan-7-yl]methyl 2-methylpropanoate is CC(C)C(=O)OC[C@@H]1[C@@H](COP(=O)(N[C@@H](C)C(=O)OCc2ccccc2)Oc2ccccc2)O[C@@H](n2ccc(N)nc2=O)C12CC2.

What is the InChIKey of [(4R,6S,7R)-4-(4-amino-2-oxopyrimidin-1-yl)-6-[[[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-5-oxaspiro[2.4]heptan-7-yl]methyl 2-methylpropanoate?

The InChIKey is YJNOAAUXUHVYIN-ZZMXRBOCSA-N. The full InChI is InChI=1S/C32H39N4O9P/c1-21(2)28(37)42-19-25-26(44-30(32(25)15-16-32)36-17-14-27(33)34-31(36)39)20-43-46(40,45-24-12-8-5-9-13-24)35-22(3)29(38)41-18-23-10-6-4-7-11-23/h4-14,17,21-22,25-26,30H,15-16,18-20H2,1-3H3,(H,35,40)(H2,33,34,39)/t22-,25+,26+,30+,46?/m0/s1.

What are the key properties of [(4R,6S,7R)-4-(4-amino-2-oxopyrimidin-1-yl)-6-[[[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-5-oxaspiro[2.4]heptan-7-yl]methyl 2-methylpropanoate?

[(4R,6S,7R)-4-(4-amino-2-oxopyrimidin-1-yl)-6-[[[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-5-oxaspiro[2.4]heptan-7-yl]methyl 2-methylpropanoate has a molecular weight of 654.66 g/mol, XLogP of 4.24, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [(4R,6S,7R)-4-(4-amino-2-oxopyrimidin-1-yl)-6-[[[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-phenoxyphosphoryl]oxymethyl]-5-oxaspiro[2.4]heptan-7-yl]methyl 2-methylpropanoate is sourced from PubChem (CID 143920093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).