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

C50H54N4O14 — CID 135967708

About 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

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 (PubChem CID 135967708) has the molecular formula C50H54N4O14 and a molecular weight of 935.00 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 135967708
• Molecular Formula: C50H54N4O14
• Molecular Weight: 935.00 g/mol
• Exact Mass: 934.36
• IUPAC Name: 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
• SMILES: OCC1OC(OCCCOc2ccc(-c3c4nc(cc5ccc([nH]5)c(-c5ccc(OCCCOC6OC(CO)C(O)C(O)C6O)cc5)c5nc(cc6ccc3[nH]6)C=C5)C=C4)cc2)C(O)C(O)C1O
• InChI: InChI=1S/C50H54N4O14/c55-25-39-43(57)45(59)47(61)49(67-39)65-21-1-19-63-33-11-3-27(4-12-33)41-35-15-7-29(51-35)23-31-9-17-37(53-31)42(38-18-10-32(54-38)24-30-8-16-36(41)52-30)28-5-13-34(14-6-28)64-20-2-22-66-50-48(62)46(60)44(58)40(26-56)68-50/h3-18,23-24,39-40,43-51,54-62H,1-2,19-22,25-26H2/b29-23-,30-24-,31-23-,32-24-,41-35-,41-36-,42-37-,42-38-
• InChIKey: ODQLFXCMPSXCQA-APDONGGQSA-N
• XLogP: 3.16
• TPSA: 274.58 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	935.00
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	16

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-[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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is OCC1OC(OCCCOc2ccc(-c3c4nc(cc5ccc([nH]5)c(-c5ccc(OCCCOC6OC(CO)C(O)C(O)C6O)cc5)c5nc(cc6ccc3[nH]6)C=C5)C=C4)cc2)C(O)C(O)C1O.

What is the InChIKey of 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?

The InChIKey is ODQLFXCMPSXCQA-APDONGGQSA-N. The full InChI is InChI=1S/C50H54N4O14/c55-25-39-43(57)45(59)47(61)49(67-39)65-21-1-19-63-33-11-3-27(4-12-33)41-35-15-7-29(51-35)23-31-9-17-37(53-31)42(38-18-10-32(54-38)24-30-8-16-36(41)52-30)28-5-13-34(14-6-28)64-20-2-22-66-50-48(62)46(60)44(58)40(26-56)68-50/h3-18,23-24,39-40,43-51,54-62H,1-2,19-22,25-26H2/b29-23-,30-24-,31-23-,32-24-,41-35-,41-36-,42-37-,42-38-.

What are the key properties of 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?

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 has a molecular weight of 935.00 g/mol, XLogP of 3.16, 16 rotatable bonds, 10 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 135967708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).