(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-[2-[4-[20-phenyl-10,15-bis[4-[2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol

C74H84N4O24 — CID 135510536

IUPAC(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-[2-[4-[20-phenyl-10,15-bis[4-[2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](OCCOCCOc2ccc(-c3c4nc(c(-c5ccc(OCCOCCO[C@H]6O[C@H](CO)[C@H](O)[C@@H](O)[C@H]6O)cc5)c5ccc([nH]5)c(-c5ccc(OCCOCCO[C@H]6O[C@H](CO)[C@H](O)[C@@H](O)[C@H]6O)cc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C74H84N4O24/c79-38-56-63(82)66(85)69(88)72(100-56)97-35-29-91-26-32-94-45-12-6-42(7-13-45)60-50-20-18-48(75-50)59(41-4-2-1-3-5-41)49-19-21-51(76-49)61(43-8-14-46(15-9-43)95-33-27-92-30-36-98-73-70(89)67(86)64(83)57(39-80)101-73)53-23-25-55(78-53)62(54-24-22-52(60)77-54)44-10-16-47(17-11-44)96-34-28-93-31-37-99-74-71(90)68(87)65(84)58(40-81)102-74/h1-25,56-58,63-75,78-90H,26-40H2/b59-48-,59-49-,60-50-,60-52-,61-51-,61-53-,62-54-,62-55-/t56-,57-,58-,63+,64+,65+,66-,67-,68-,69-,70-,71-,72+,73+,74+/m1/s1
InChIKeyLCEBXZQYBZVLCZ-ULTMFQTCSA-N
MW1413.49 g/mol
LogP2.96
Rot. Bonds31

About (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-[2-[4-[20-phenyl-10,15-bis[4-[2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol

(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-[2-[4-[20-phenyl-10,15-bis[4-[2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol (PubChem CID 135510536) has the molecular formula C74H84N4O24 and a molecular weight of 1413.49 g/mol. Its IUPAC name is (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-[2-[4-[20-phenyl-10,15-bis[4-[2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-[2-[4-[20-phenyl-10,15-bis[4-[2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol
PubChem CID135510536
Molecular FormulaC74H84N4O24
Molecular Weight1413.49 g/mol
Exact Mass1412.55
IUPAC Name(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-[2-[4-[20-phenyl-10,15-bis[4-[2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@H](OCCOCCOc2ccc(-c3c4nc(c(-c5ccc(OCCOCCO[C@H]6O[C@H](CO)[C@H](O)[C@@H](O)[C@H]6O)cc5)c5ccc([nH]5)c(-c5ccc(OCCOCCO[C@H]6O[C@H](CO)[C@H](O)[C@@H](O)[C@H]6O)cc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C74H84N4O24/c79-38-56-63(82)66(85)69(88)72(100-56)97-35-29-91-26-32-94-45-12-6-42(7-13-45)60-50-20-18-48(75-50)59(41-4-2-1-3-5-41)49-19-21-51(76-49)61(43-8-14-46(15-9-43)95-33-27-92-30-36-98-73-70(89)67(86)64(83)57(39-80)101-73)53-23-25-55(78-53)62(54-24-22-52(60)77-54)44-10-16-47(17-11-44)96-34-28-93-31-37-99-74-71(90)68(87)65(84)58(40-81)102-74/h1-25,56-58,63-75,78-90H,26-40H2/b59-48-,59-49-,60-50-,60-52-,61-51-,61-53-,62-54-,62-55-/t56-,57-,58-,63+,64+,65+,66-,67-,68-,69-,70-,71-,72+,73+,74+/m1/s1
InChIKeyLCEBXZQYBZVLCZ-ULTMFQTCSA-N
XLogP2.96
TPSA410.88 Ų
H-Bond Donors14
H-Bond Acceptors26
Rotatable Bonds31
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001413.49
LogP ≤ 52.96
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-[2-[4-[20-phenyl-10,15-bis[4-[2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol with MolForge

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Related Compounds

(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[4-[10,15,20-tris[4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]oxane-3,4,5-triol
CID 136722672
2-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]ethanol
CID 137254418
2-(hydroxymethyl)-6-[3-[4-[15-[4-[3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]propoxy]oxane-3,4,5-triol
CID 135967708
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenoxy]oxane-3,4,5-triol
CID 136674025
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[10,15,20-tris[4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3,22,24-tetrahydroporphyrin-5-yl]phenoxy]oxane-3,4,5-triol
CID 101145949
3-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]propan-1-ol
CID 136693994
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[3-[15-phenyl-10,20-bis[3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3,22,24-tetrahydroporphyrin-5-yl]phenoxy]oxane-3,4,5-triol
CID 10351291
5,10,15-triphenyl-20-[4-[6-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]hexoxy]phenyl]-21,23-dihydroporphyrin
CID 101169177
5-[4-[15-[4-(5-hydroxypentoxy)phenyl]-10,20-diphenyl-21,23-dihydroporphyrin-5-yl]phenoxy]pentan-1-ol
CID 136753079
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-[10,15,20-tris[3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2,3,22,24-tetrahydroporphyrin-5-yl]phenoxy]oxane-3,4,5-triol
CID 58013764
5,10,15-tris(2,3,4,5,6-pentafluorophenyl)-20-[4-[2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenoxy]ethoxy]phenyl]-21,23-dihydroporphyrin
CID 100914019
2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-N-[3-[2-[10,15,20-tris(4-methylphenyl)-23,24-dihydroporphyrin-5-yl]phenoxy]propyl]acetamide
CID 11513542

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-[2-[4-[20-phenyl-10,15-bis[4-[2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-[2-[4-[20-phenyl-10,15-bis[4-[2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol (CID 135510536) is (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-[2-[4-[20-phenyl-10,15-bis[4-[2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-[2-[4-[20-phenyl-10,15-bis[4-[2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-[2-[4-[20-phenyl-10,15-bis[4-[2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol is OC[C@H]1O[C@H](OCCOCCOc2ccc(-c3c4nc(c(-c5ccc(OCCOCCO[C@H]6O[C@H](CO)[C@H](O)[C@@H](O)[C@H]6O)cc5)c5ccc([nH]5)c(-c5ccc(OCCOCCO[C@H]6O[C@H](CO)[C@H](O)[C@@H](O)[C@H]6O)cc5)c5nc(c(-c6ccccc6)c6ccc3[nH]6)C=C5)C=C4)cc2)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-[2-[4-[20-phenyl-10,15-bis[4-[2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol?
The InChIKey is LCEBXZQYBZVLCZ-ULTMFQTCSA-N. The full InChI is InChI=1S/C74H84N4O24/c79-38-56-63(82)66(85)69(88)72(100-56)97-35-29-91-26-32-94-45-12-6-42(7-13-45)60-50-20-18-48(75-50)59(41-4-2-1-3-5-41)49-19-21-51(76-49)61(43-8-14-46(15-9-43)95-33-27-92-30-36-98-73-70(89)67(86)64(83)57(39-80)101-73)53-23-25-55(78-53)62(54-24-22-52(60)77-54)44-10-16-47(17-11-44)96-34-28-93-31-37-99-74-71(90)68(87)65(84)58(40-81)102-74/h1-25,56-58,63-75,78-90H,26-40H2/b59-48-,59-49-,60-50-,60-52-,61-51-,61-53-,62-54-,62-55-/t56-,57-,58-,63+,64+,65+,66-,67-,68-,69-,70-,71-,72+,73+,74+/m1/s1.
What are the key properties of (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-[2-[4-[20-phenyl-10,15-bis[4-[2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol?
(2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-[2-[4-[20-phenyl-10,15-bis[4-[2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol has a molecular weight of 1413.49 g/mol, XLogP of 2.96, 31 rotatable bonds, 14 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-[2-[2-[4-[20-phenyl-10,15-bis[4-[2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]phenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol is sourced from PubChem (CID 135510536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).