1-[(2R,4S,5S)-4-hydroxy-5-[1-hydroxy-2,2-bis(4-methoxyphenyl)-2-phenylethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione

C33H34N2O7 — CID 70153151

About 1-[(2R,4S,5S)-4-hydroxy-5-[1-hydroxy-2,2-bis(4-methoxyphenyl)-2-phenylethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione

1-[(2R,4S,5S)-4-hydroxy-5-[1-hydroxy-2,2-bis(4-methoxyphenyl)-2-phenylethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione (PubChem CID 70153151) has the molecular formula C33H34N2O7 and a molecular weight of 570.64 g/mol. Its IUPAC name is 1-[(2R,4S,5S)-4-hydroxy-5-[1-hydroxy-2,2-bis(4-methoxyphenyl)-2-phenylethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(2R,4S,5S)-4-hydroxy-5-[1-hydroxy-2,2-bis(4-methoxyphenyl)-2-phenylethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione
• PubChem CID: 70153151
• Molecular Formula: C33H34N2O7
• Molecular Weight: 570.64 g/mol
• Exact Mass: 570.24
• IUPAC Name: 1-[(2R,4S,5S)-4-hydroxy-5-[1-hydroxy-2,2-bis(4-methoxyphenyl)-2-phenylethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione
• SMILES: C=CCc1cn([C@H]2C[C@H](O)[C@@H](C(O)C(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)O2)c(=O)[nH]c1=O
• InChI: InChI=1S/C33H34N2O7/c1-4-8-21-20-35(32(39)34-31(21)38)28-19-27(36)29(42-28)30(37)33(22-9-6-5-7-10-22,23-11-15-25(40-2)16-12-23)24-13-17-26(41-3)18-14-24/h4-7,9-18,20,27-30,36-37H,1,8,19H2,2-3H3,(H,34,38,39)/t27-,28+,29-,30?/m0/s1
• InChIKey: HBAOQOWMZYBHBL-AFPMMHFWSA-N
• XLogP: 3.33
• TPSA: 123.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.64
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5S)-4-hydroxy-5-[1-hydroxy-2,2-bis(4-methoxyphenyl)-2-phenylethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione?

The IUPAC name of 1-[(2R,4S,5S)-4-hydroxy-5-[1-hydroxy-2,2-bis(4-methoxyphenyl)-2-phenylethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione (CID 70153151) is 1-[(2R,4S,5S)-4-hydroxy-5-[1-hydroxy-2,2-bis(4-methoxyphenyl)-2-phenylethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione.

What is the SMILES notation for 1-[(2R,4S,5S)-4-hydroxy-5-[1-hydroxy-2,2-bis(4-methoxyphenyl)-2-phenylethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione?

The canonical SMILES for 1-[(2R,4S,5S)-4-hydroxy-5-[1-hydroxy-2,2-bis(4-methoxyphenyl)-2-phenylethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione is C=CCc1cn([C@H]2C[C@H](O)[C@@H](C(O)C(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)O2)c(=O)[nH]c1=O.

What is the InChIKey of 1-[(2R,4S,5S)-4-hydroxy-5-[1-hydroxy-2,2-bis(4-methoxyphenyl)-2-phenylethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione?

The InChIKey is HBAOQOWMZYBHBL-AFPMMHFWSA-N. The full InChI is InChI=1S/C33H34N2O7/c1-4-8-21-20-35(32(39)34-31(21)38)28-19-27(36)29(42-28)30(37)33(22-9-6-5-7-10-22,23-11-15-25(40-2)16-12-23)24-13-17-26(41-3)18-14-24/h4-7,9-18,20,27-30,36-37H,1,8,19H2,2-3H3,(H,34,38,39)/t27-,28+,29-,30?/m0/s1.

What are the key properties of 1-[(2R,4S,5S)-4-hydroxy-5-[1-hydroxy-2,2-bis(4-methoxyphenyl)-2-phenylethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione?

1-[(2R,4S,5S)-4-hydroxy-5-[1-hydroxy-2,2-bis(4-methoxyphenyl)-2-phenylethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione has a molecular weight of 570.64 g/mol, XLogP of 3.33, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,4S,5S)-4-hydroxy-5-[1-hydroxy-2,2-bis(4-methoxyphenyl)-2-phenylethyl]oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione is sourced from PubChem (CID 70153151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).