(2R,14R,27S,32S)-12,24-bis[[dihydroxy(3-pyridin-1-ium-1-ylpropyl)silyl]oxy]-5,11,23-triethyl-8,20-dihydroxy-2,14,27,32-tetramethyl-8,20-bis(3-pyridin-1-ium-1-ylpropyl)-7,9,19,21-tetraoxa-8,20-disilaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(24),3(34),4,6(33),10,12,15(29),16,18(28),22,25,30-dodecaene-4,16-diol

C70H88N4O14Si4+4 — CID 134840953

About (2R,14R,27S,32S)-12,24-bis[[dihydroxy(3-pyridin-1-ium-1-ylpropyl)silyl]oxy]-5,11,23-triethyl-8,20-dihydroxy-2,14,27,32-tetramethyl-8,20-bis(3-pyridin-1-ium-1-ylpropyl)-7,9,19,21-tetraoxa-8,20-disilaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(24),3(34),4,6(33),10,12,15(29),16,18(28),22,25,30-dodecaene-4,16-diol

(2R,14R,27S,32S)-12,24-bis[[dihydroxy(3-pyridin-1-ium-1-ylpropyl)silyl]oxy]-5,11,23-triethyl-8,20-dihydroxy-2,14,27,32-tetramethyl-8,20-bis(3-pyridin-1-ium-1-ylpropyl)-7,9,19,21-tetraoxa-8,20-disilaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(24),3(34),4,6(33),10,12,15(29),16,18(28),22,25,30-dodecaene-4,16-diol (PubChem CID 134840953) has the molecular formula C70H88N4O14Si4+4 and a molecular weight of 1321.83 g/mol. Its IUPAC name is (2R,14R,27S,32S)-12,24-bis[[dihydroxy(3-pyridin-1-ium-1-ylpropyl)silyl]oxy]-5,11,23-triethyl-8,20-dihydroxy-2,14,27,32-tetramethyl-8,20-bis(3-pyridin-1-ium-1-ylpropyl)-7,9,19,21-tetraoxa-8,20-disilaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(24),3(34),4,6(33),10,12,15(29),16,18(28),22,25,30-dodecaene-4,16-diol.

Molecular Properties

• Compound Name: (2R,14R,27S,32S)-12,24-bis[[dihydroxy(3-pyridin-1-ium-1-ylpropyl)silyl]oxy]-5,11,23-triethyl-8,20-dihydroxy-2,14,27,32-tetramethyl-8,20-bis(3-pyridin-1-ium-1-ylpropyl)-7,9,19,21-tetraoxa-8,20-disilaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(24),3(34),4,6(33),10,12,15(29),16,18(28),22,25,30-dodecaene-4,16-diol
• PubChem CID: 134840953
• Molecular Formula: C70H88N4O14Si4+4
• Molecular Weight: 1321.83 g/mol
• Exact Mass: 1320.54
• IUPAC Name: (2R,14R,27S,32S)-12,24-bis[[dihydroxy(3-pyridin-1-ium-1-ylpropyl)silyl]oxy]-5,11,23-triethyl-8,20-dihydroxy-2,14,27,32-tetramethyl-8,20-bis(3-pyridin-1-ium-1-ylpropyl)-7,9,19,21-tetraoxa-8,20-disilaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(24),3(34),4,6(33),10,12,15(29),16,18(28),22,25,30-dodecaene-4,16-diol
• SMILES: CCc1c(O)c2cc3c1O[Si](O)(CCC[n+]1ccccc1)Oc1c(cc(c(O[Si](O)(O)CCC[n+]4ccccc4)c1CC)[C@H](C)c1cc4c(cc1O)O[Si](O)(CCC[n+]1ccccc1)Oc1c(cc(c(O[Si](O)(O)CCC[n+]5ccccc5)c1CC)[C@@H]2C)[C@H]4C)[C@H]3C
• InChI: InChI=1S/C70H86N4O14Si4/c1-8-52-65(76)57-44-58-51(7)62-45-59(67(84-89(77,78)39-23-35-71-27-15-11-16-28-71)53(9-2)70(62)88-92(82,86-66(52)58)42-26-38-74-33-21-14-22-34-74)48(4)55-43-56-49(5)60-46-61(50(57)6)68(85-90(79,80)40-24-36-72-29-17-12-18-30-72)54(10-3)69(60)87-91(81,83-64(56)47-63(55)75)41-25-37-73-31-19-13-20-32-73/h11-22,27-34,43-51,77-82H,8-10,23-26,35-42H2,1-7H3/q+2/p+2/t48-,49+,50-,51+,91?,92?/m1/s1
• InChIKey: UHUXSADULDKXCZ-VNSBJRCLSA-P
• XLogP: 9.23
• TPSA: 232.74 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 23
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1321.83
LogP ≤ 5	9.23
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,14R,27S,32S)-12,24-bis[[dihydroxy(3-pyridin-1-ium-1-ylpropyl)silyl]oxy]-5,11,23-triethyl-8,20-dihydroxy-2,14,27,32-tetramethyl-8,20-bis(3-pyridin-1-ium-1-ylpropyl)-7,9,19,21-tetraoxa-8,20-disilaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(24),3(34),4,6(33),10,12,15(29),16,18(28),22,25,30-dodecaene-4,16-diol?

The IUPAC name of (2R,14R,27S,32S)-12,24-bis[[dihydroxy(3-pyridin-1-ium-1-ylpropyl)silyl]oxy]-5,11,23-triethyl-8,20-dihydroxy-2,14,27,32-tetramethyl-8,20-bis(3-pyridin-1-ium-1-ylpropyl)-7,9,19,21-tetraoxa-8,20-disilaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(24),3(34),4,6(33),10,12,15(29),16,18(28),22,25,30-dodecaene-4,16-diol (CID 134840953) is (2R,14R,27S,32S)-12,24-bis[[dihydroxy(3-pyridin-1-ium-1-ylpropyl)silyl]oxy]-5,11,23-triethyl-8,20-dihydroxy-2,14,27,32-tetramethyl-8,20-bis(3-pyridin-1-ium-1-ylpropyl)-7,9,19,21-tetraoxa-8,20-disilaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(24),3(34),4,6(33),10,12,15(29),16,18(28),22,25,30-dodecaene-4,16-diol.

What is the SMILES notation for (2R,14R,27S,32S)-12,24-bis[[dihydroxy(3-pyridin-1-ium-1-ylpropyl)silyl]oxy]-5,11,23-triethyl-8,20-dihydroxy-2,14,27,32-tetramethyl-8,20-bis(3-pyridin-1-ium-1-ylpropyl)-7,9,19,21-tetraoxa-8,20-disilaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(24),3(34),4,6(33),10,12,15(29),16,18(28),22,25,30-dodecaene-4,16-diol?

The canonical SMILES for (2R,14R,27S,32S)-12,24-bis[[dihydroxy(3-pyridin-1-ium-1-ylpropyl)silyl]oxy]-5,11,23-triethyl-8,20-dihydroxy-2,14,27,32-tetramethyl-8,20-bis(3-pyridin-1-ium-1-ylpropyl)-7,9,19,21-tetraoxa-8,20-disilaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(24),3(34),4,6(33),10,12,15(29),16,18(28),22,25,30-dodecaene-4,16-diol is CCc1c(O)c2cc3c1O[Si](O)(CCC[n+]1ccccc1)Oc1c(cc(c(O[Si](O)(O)CCC[n+]4ccccc4)c1CC)[C@H](C)c1cc4c(cc1O)O[Si](O)(CCC[n+]1ccccc1)Oc1c(cc(c(O[Si](O)(O)CCC[n+]5ccccc5)c1CC)[C@@H]2C)[C@H]4C)[C@H]3C.

What is the InChIKey of (2R,14R,27S,32S)-12,24-bis[[dihydroxy(3-pyridin-1-ium-1-ylpropyl)silyl]oxy]-5,11,23-triethyl-8,20-dihydroxy-2,14,27,32-tetramethyl-8,20-bis(3-pyridin-1-ium-1-ylpropyl)-7,9,19,21-tetraoxa-8,20-disilaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(24),3(34),4,6(33),10,12,15(29),16,18(28),22,25,30-dodecaene-4,16-diol?

The InChIKey is UHUXSADULDKXCZ-VNSBJRCLSA-P. The full InChI is InChI=1S/C70H86N4O14Si4/c1-8-52-65(76)57-44-58-51(7)62-45-59(67(84-89(77,78)39-23-35-71-27-15-11-16-28-71)53(9-2)70(62)88-92(82,86-66(52)58)42-26-38-74-33-21-14-22-34-74)48(4)55-43-56-49(5)60-46-61(50(57)6)68(85-90(79,80)40-24-36-72-29-17-12-18-30-72)54(10-3)69(60)87-91(81,83-64(56)47-63(55)75)41-25-37-73-31-19-13-20-32-73/h11-22,27-34,43-51,77-82H,8-10,23-26,35-42H2,1-7H3/q+2/p+2/t48-,49+,50-,51+,91?,92?/m1/s1.

What are the key properties of (2R,14R,27S,32S)-12,24-bis[[dihydroxy(3-pyridin-1-ium-1-ylpropyl)silyl]oxy]-5,11,23-triethyl-8,20-dihydroxy-2,14,27,32-tetramethyl-8,20-bis(3-pyridin-1-ium-1-ylpropyl)-7,9,19,21-tetraoxa-8,20-disilaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(24),3(34),4,6(33),10,12,15(29),16,18(28),22,25,30-dodecaene-4,16-diol?

(2R,14R,27S,32S)-12,24-bis[[dihydroxy(3-pyridin-1-ium-1-ylpropyl)silyl]oxy]-5,11,23-triethyl-8,20-dihydroxy-2,14,27,32-tetramethyl-8,20-bis(3-pyridin-1-ium-1-ylpropyl)-7,9,19,21-tetraoxa-8,20-disilaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(24),3(34),4,6(33),10,12,15(29),16,18(28),22,25,30-dodecaene-4,16-diol has a molecular weight of 1321.83 g/mol, XLogP of 9.23, 23 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,14R,27S,32S)-12,24-bis[[dihydroxy(3-pyridin-1-ium-1-ylpropyl)silyl]oxy]-5,11,23-triethyl-8,20-dihydroxy-2,14,27,32-tetramethyl-8,20-bis(3-pyridin-1-ium-1-ylpropyl)-7,9,19,21-tetraoxa-8,20-disilaheptacyclo[13.9.5.53,13.018,28.022,26.06,33.010,31]tetratriaconta-1(24),3(34),4,6(33),10,12,15(29),16,18(28),22,25,30-dodecaene-4,16-diol is sourced from PubChem (CID 134840953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).