2-(hydroxymethyl)-6-[2-[2-[4-[10-phenyl-15,20-bis[4-[2-[2-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyethoxy]ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol

C76H90N4O22 — CID 91442814

About 2-(hydroxymethyl)-6-[2-[2-[4-[10-phenyl-15,20-bis[4-[2-[2-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyethoxy]ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol

2-(hydroxymethyl)-6-[2-[2-[4-[10-phenyl-15,20-bis[4-[2-[2-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyethoxy]ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol (PubChem CID 91442814) has the molecular formula C76H90N4O22 and a molecular weight of 1411.56 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-[2-[2-[4-[10-phenyl-15,20-bis[4-[2-[2-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyethoxy]ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol.

Molecular Properties

• Compound Name: 2-(hydroxymethyl)-6-[2-[2-[4-[10-phenyl-15,20-bis[4-[2-[2-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyethoxy]ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol
• PubChem CID: 91442814
• Molecular Formula: C76H90N4O22
• Molecular Weight: 1411.56 g/mol
• Exact Mass: 1410.60
• IUPAC Name: 2-(hydroxymethyl)-6-[2-[2-[4-[10-phenyl-15,20-bis[4-[2-[2-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyethoxy]ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol
• SMILES: OCC1CC(OCCOCCOc2ccc(C3=c4ccc([nH]4)=C(c4ccc(OCCOCCOC5CC(CO)C(O)C(O)C5O)cc4)c4ccc([nH]4)C(c4ccc(OCCOCCOC5OC(CO)C(O)C(O)C5O)cc4)=c4ccc([nH]4)=C(c4ccccc4)c4ccc3[nH]4)cc2)C(O)C(O)C1O
• InChI: InChI=1S/C76H90N4O22/c81-40-47-38-60(69(86)72(89)67(47)84)99-35-29-93-26-32-96-49-12-6-44(7-13-49)64-54-20-18-52(77-54)63(43-4-2-1-3-5-43)53-19-21-55(78-53)65(45-8-16-51(17-9-45)98-34-28-95-31-37-101-76-75(92)74(91)71(88)62(42-83)102-76)57-23-25-59(80-57)66(58-24-22-56(64)79-58)46-10-14-50(15-11-46)97-33-27-94-30-36-100-61-39-48(41-82)68(85)73(90)70(61)87/h1-25,47-48,60-62,67-92H,26-42H2
• InChIKey: FZIMBOZMDYRXKO-UHFFFAOYSA-N
• XLogP: -0.74
• TPSA: 398.22 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 22
• Rotatable Bonds: 31
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1411.56
LogP ≤ 5	-0.74
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-[2-[2-[4-[10-phenyl-15,20-bis[4-[2-[2-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyethoxy]ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol?

The IUPAC name of 2-(hydroxymethyl)-6-[2-[2-[4-[10-phenyl-15,20-bis[4-[2-[2-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyethoxy]ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol (CID 91442814) is 2-(hydroxymethyl)-6-[2-[2-[4-[10-phenyl-15,20-bis[4-[2-[2-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyethoxy]ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol.

What is the SMILES notation for 2-(hydroxymethyl)-6-[2-[2-[4-[10-phenyl-15,20-bis[4-[2-[2-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyethoxy]ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol?

The canonical SMILES for 2-(hydroxymethyl)-6-[2-[2-[4-[10-phenyl-15,20-bis[4-[2-[2-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyethoxy]ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol is OCC1CC(OCCOCCOc2ccc(C3=c4ccc([nH]4)=C(c4ccc(OCCOCCOC5CC(CO)C(O)C(O)C5O)cc4)c4ccc([nH]4)C(c4ccc(OCCOCCOC5OC(CO)C(O)C(O)C5O)cc4)=c4ccc([nH]4)=C(c4ccccc4)c4ccc3[nH]4)cc2)C(O)C(O)C1O.

What is the InChIKey of 2-(hydroxymethyl)-6-[2-[2-[4-[10-phenyl-15,20-bis[4-[2-[2-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyethoxy]ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol?

The InChIKey is FZIMBOZMDYRXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H90N4O22/c81-40-47-38-60(69(86)72(89)67(47)84)99-35-29-93-26-32-96-49-12-6-44(7-13-49)64-54-20-18-52(77-54)63(43-4-2-1-3-5-43)53-19-21-55(78-53)65(45-8-16-51(17-9-45)98-34-28-95-31-37-101-76-75(92)74(91)71(88)62(42-83)102-76)57-23-25-59(80-57)66(58-24-22-56(64)79-58)46-10-14-50(15-11-46)97-33-27-94-30-36-100-61-39-48(41-82)68(85)73(90)70(61)87/h1-25,47-48,60-62,67-92H,26-42H2.

What are the key properties of 2-(hydroxymethyl)-6-[2-[2-[4-[10-phenyl-15,20-bis[4-[2-[2-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyethoxy]ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol?

2-(hydroxymethyl)-6-[2-[2-[4-[10-phenyl-15,20-bis[4-[2-[2-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyethoxy]ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol has a molecular weight of 1411.56 g/mol, XLogP of -0.74, 31 rotatable bonds, 16 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(hydroxymethyl)-6-[2-[2-[4-[10-phenyl-15,20-bis[4-[2-[2-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxyethoxy]ethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]ethoxy]ethoxy]oxane-3,4,5-triol is sourced from PubChem (CID 91442814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).