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

C76H88N4O28 — CID 91190761

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

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[3-[10,15,20-tris[3-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]ethoxy]oxane-3,4,5-triol (PubChem CID 91190761) has the molecular formula C76H88N4O28 and a molecular weight of 1505.54 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[3-[10,15,20-tris[3-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]ethoxy]oxane-3,4,5-triol.

Molecular Properties

• Compound Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[3-[10,15,20-tris[3-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]ethoxy]oxane-3,4,5-triol
• PubChem CID: 91190761
• Molecular Formula: C76H88N4O28
• Molecular Weight: 1505.54 g/mol
• Exact Mass: 1504.56
• IUPAC Name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[3-[10,15,20-tris[3-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]ethoxy]oxane-3,4,5-triol
• SMILES: OC[C@H]1O[C@@H](OCCOc2cccc(C3=c4ccc([nH]4)=C(c4cccc(OCCO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c4)c4ccc([nH]4)C(c4cccc(OCCO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c4)=c4ccc([nH]4)=C(c4cccc(OCCO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c4)c4ccc3[nH]4)c2)[C@H](O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C76H88N4O28/c81-33-53-61(85)65(89)69(93)73(105-53)101-25-21-97-41-9-1-5-37(29-41)57-45-13-15-47(77-45)58(38-6-2-10-42(30-38)98-22-26-102-74-70(94)66(90)62(86)54(34-82)106-74)49-17-19-51(79-49)60(40-8-4-12-44(32-40)100-24-28-104-76-72(96)68(92)64(88)56(36-84)108-76)52-20-18-50(80-52)59(48-16-14-46(57)78-48)39-7-3-11-43(31-39)99-23-27-103-75-71(95)67(91)63(87)55(35-83)107-75/h1-20,29-32,53-56,61-96H,21-28,33-36H2/t53-,54-,55-,56-,61-,62-,63-,64-,65+,66+,67+,68+,69-,70-,71-,72-,73-,74-,75-,76-/m1/s1
• InChIKey: LMSVZXNZTDPGGS-NDKCMIAJSA-N
• XLogP: -4.92
• TPSA: 497.60 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 28
• Rotatable Bonds: 28
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1505.54
LogP ≤ 5	-4.92
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[3-[10,15,20-tris[3-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]ethoxy]oxane-3,4,5-triol (CID 91190761) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[3-[10,15,20-tris[3-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]ethoxy]oxane-3,4,5-triol.

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

The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[3-[10,15,20-tris[3-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]ethoxy]oxane-3,4,5-triol is OC[C@H]1O[C@@H](OCCOc2cccc(C3=c4ccc([nH]4)=C(c4cccc(OCCO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c4)c4ccc([nH]4)C(c4cccc(OCCO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c4)=c4ccc([nH]4)=C(c4cccc(OCCO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c4)c4ccc3[nH]4)c2)[C@H](O)[C@@H](O)[C@@H]1O.

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

The InChIKey is LMSVZXNZTDPGGS-NDKCMIAJSA-N. The full InChI is InChI=1S/C76H88N4O28/c81-33-53-61(85)65(89)69(93)73(105-53)101-25-21-97-41-9-1-5-37(29-41)57-45-13-15-47(77-45)58(38-6-2-10-42(30-38)98-22-26-102-74-70(94)66(90)62(86)54(34-82)106-74)49-17-19-51(79-49)60(40-8-4-12-44(32-40)100-24-28-104-76-72(96)68(92)64(88)56(36-84)108-76)52-20-18-50(80-52)59(48-16-14-46(57)78-48)39-7-3-11-43(31-39)99-23-27-103-75-71(95)67(91)63(87)55(35-83)107-75/h1-20,29-32,53-56,61-96H,21-28,33-36H2/t53-,54-,55-,56-,61-,62-,63-,64-,65+,66+,67+,68+,69-,70-,71-,72-,73-,74-,75-,76-/m1/s1.

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

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[3-[10,15,20-tris[3-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]ethoxy]oxane-3,4,5-triol has a molecular weight of 1505.54 g/mol, XLogP of -4.92, 28 rotatable bonds, 20 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[2-[3-[10,15,20-tris[3-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]phenyl]-21,22,23,24-tetrahydroporphyrin-5-yl]phenoxy]ethoxy]oxane-3,4,5-triol is sourced from PubChem (CID 91190761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).