(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

C68H72N4O24 — CID 58013764

About (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

(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 (PubChem CID 58013764) has the molecular formula C68H72N4O24 and a molecular weight of 1329.33 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 58013764
• Molecular Formula: C68H72N4O24
• Molecular Weight: 1329.33 g/mol
• Exact Mass: 1328.45
• IUPAC Name: (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
• SMILES: OC[C@H]1O[C@@H](Oc2cccc(-c3c4nc(c(-c5cccc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c5)c5ccc([nH]5)c(-c5cccc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c5)c5nc(c(-c6cccc(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)c6)c6ccc3[nH]6)CC5)C=C4)c2)[C@H](O)[C@@H](O)[C@@H]1O
• InChI: InChI=1S/C68H72N4O24/c73-25-45-53(77)57(81)61(85)65(93-45)89-33-9-1-5-29(21-33)49-37-13-15-39(69-37)50(30-6-2-10-34(22-30)90-66-62(86)58(82)54(78)46(26-74)94-66)41-17-19-43(71-41)52(32-8-4-12-36(24-32)92-68-64(88)60(84)56(80)48(28-76)96-68)44-20-18-42(72-44)51(40-16-14-38(49)70-40)31-7-3-11-35(23-31)91-67-63(87)59(83)55(79)47(27-75)95-67/h1-17,19,21-24,45-48,53-68,70-71,73-88H,18,20,25-28H2/b49-37-,49-38-,50-39-,50-41-,51-40-,51-42-,52-43-,52-44-/t45-,46-,47-,48-,53-,54-,55-,56-,57+,58+,59+,60+,61-,62-,63-,64-,65-,66-,67-,68-/m1/s1
• InChIKey: XFATWSIFEHJGEU-PFQDEMPJSA-N
• XLogP: -0.35
• TPSA: 454.88 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1329.33
LogP ≤ 5	-0.35
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is OC[C@H]1O[C@@H](Oc2cccc(-c3c4nc(c(-c5cccc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c5)c5ccc([nH]5)c(-c5cccc(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c5)c5nc(c(-c6cccc(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)c6)c6ccc3[nH]6)CC5)C=C4)c2)[C@H](O)[C@@H](O)[C@@H]1O.

What is the InChIKey of (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?

The InChIKey is XFATWSIFEHJGEU-PFQDEMPJSA-N. The full InChI is InChI=1S/C68H72N4O24/c73-25-45-53(77)57(81)61(85)65(93-45)89-33-9-1-5-29(21-33)49-37-13-15-39(69-37)50(30-6-2-10-34(22-30)90-66-62(86)58(82)54(78)46(26-74)94-66)41-17-19-43(71-41)52(32-8-4-12-36(24-32)92-68-64(88)60(84)56(80)48(28-76)96-68)44-20-18-42(72-44)51(40-16-14-38(49)70-40)31-7-3-11-35(23-31)91-67-63(87)59(83)55(79)47(27-75)95-67/h1-17,19,21-24,45-48,53-68,70-71,73-88H,18,20,25-28H2/b49-37-,49-38-,50-39-,50-41-,51-40-,51-42-,52-43-,52-44-/t45-,46-,47-,48-,53-,54-,55-,56-,57+,58+,59+,60+,61-,62-,63-,64-,65-,66-,67-,68-/m1/s1.

What are the key properties of (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?

(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 has a molecular weight of 1329.33 g/mol, XLogP of -0.35, 16 rotatable bonds, 18 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 58013764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).