4-amino-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[4-(2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-15-phenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrimidin-2-one

C79H115N7O5Si3 — CID 11029680

About 4-amino-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[4-(2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-15-phenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrimidin-2-one

4-amino-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[4-(2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-15-phenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrimidin-2-one (PubChem CID 11029680) has the molecular formula C79H115N7O5Si3 and a molecular weight of 1327.09 g/mol. Its IUPAC name is 4-amino-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[4-(2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-15-phenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrimidin-2-one.

Molecular Properties

• Compound Name: 4-amino-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[4-(2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-15-phenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrimidin-2-one
• PubChem CID: 11029680
• Molecular Formula: C79H115N7O5Si3
• Molecular Weight: 1327.09 g/mol
• Exact Mass: 1325.83
• IUPAC Name: 4-amino-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[4-(2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-15-phenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrimidin-2-one
• SMILES: CCCCC1=C(C)c2nc1cc1[nH]c(c(C)c1CCCC)c(-c1ccccc1)c1[nH]c(cc3nc(c2-c2ccc(-c4cn([C@@H]5O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]5O[Si](C)(C)C(C)(C)C)c(=O)nc4N)cc2)C(C)=C3CCCC)c(CCCC)c1C
• InChI: InChI=1S/C79H115N7O5Si3/c1-24-28-37-56-49(5)68-66(54-35-33-32-34-36-54)69-50(6)57(38-29-25-2)62(82-69)46-64-59(40-31-27-4)52(8)71(84-64)67(70-51(7)58(39-30-26-3)63(83-70)45-61(56)81-68)55-43-41-53(42-44-55)60-47-86(76(87)85-74(60)80)75-73(91-94(22,23)79(15,16)17)72(90-93(20,21)78(12,13)14)65(89-75)48-88-92(18,19)77(9,10)11/h32-36,41-47,65,72-73,75,81-82H,24-31,37-40,48H2,1-23H3,(H2,80,85,87)/b61-45-,62-46-,63-45-,64-46-,68-66-,69-66-,70-67-,71-67-/t65-,72-,73-,75-/m1/s1
• InChIKey: OXIYUHJZSANEDJ-ACACPMRDSA-N
• XLogP: 21.70
• TPSA: 155.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 23
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1327.09
LogP ≤ 5	21.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[4-(2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-15-phenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrimidin-2-one?

The IUPAC name of 4-amino-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[4-(2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-15-phenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrimidin-2-one (CID 11029680) is 4-amino-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[4-(2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-15-phenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrimidin-2-one.

What is the SMILES notation for 4-amino-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[4-(2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-15-phenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrimidin-2-one?

The canonical SMILES for 4-amino-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[4-(2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-15-phenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrimidin-2-one is CCCCC1=C(C)c2nc1cc1[nH]c(c(C)c1CCCC)c(-c1ccccc1)c1[nH]c(cc3nc(c2-c2ccc(-c4cn([C@@H]5O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]5O[Si](C)(C)C(C)(C)C)c(=O)nc4N)cc2)C(C)=C3CCCC)c(CCCC)c1C.

What is the InChIKey of 4-amino-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[4-(2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-15-phenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrimidin-2-one?

The InChIKey is OXIYUHJZSANEDJ-ACACPMRDSA-N. The full InChI is InChI=1S/C79H115N7O5Si3/c1-24-28-37-56-49(5)68-66(54-35-33-32-34-36-54)69-50(6)57(38-29-25-2)62(82-69)46-64-59(40-31-27-4)52(8)71(84-64)67(70-51(7)58(39-30-26-3)63(83-70)45-61(56)81-68)55-43-41-53(42-44-55)60-47-86(76(87)85-74(60)80)75-73(91-94(22,23)79(15,16)17)72(90-93(20,21)78(12,13)14)65(89-75)48-88-92(18,19)77(9,10)11/h32-36,41-47,65,72-73,75,81-82H,24-31,37-40,48H2,1-23H3,(H2,80,85,87)/b61-45-,62-46-,63-45-,64-46-,68-66-,69-66-,70-67-,71-67-/t65-,72-,73-,75-/m1/s1.

What are the key properties of 4-amino-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[4-(2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-15-phenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrimidin-2-one?

4-amino-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[4-(2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-15-phenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrimidin-2-one has a molecular weight of 1327.09 g/mol, XLogP of 21.70, 23 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[4-(2,8,12,18-tetrabutyl-3,7,13,17-tetramethyl-15-phenyl-23,24-dihydroporphyrin-5-yl)phenyl]pyrimidin-2-one is sourced from PubChem (CID 11029680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).