(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

C68H72N4O24 — CID 101145949

IUPAC(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
SMILESOC[C@H]1O[C@@H](Oc2ccc(-c3c4nc(c(-c5ccc(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)cc5)c5ccc([nH]5)c(-c5ccc(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)cc5)c5nc(c(-c6ccc(O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)cc6)c6ccc3[nH]6)CC5)C=C4)cc2)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C68H72N4O24/c73-25-45-53(77)57(81)61(85)65(93-45)89-33-9-1-29(2-10-33)49-37-17-19-39(69-37)50(30-3-11-34(12-4-30)90-66-62(86)58(82)54(78)46(26-74)94-66)41-21-23-43(71-41)52(32-7-15-36(16-8-32)92-68-64(88)60(84)56(80)48(28-76)96-68)44-24-22-42(72-44)51(40-20-18-38(49)70-40)31-5-13-35(14-6-31)91-67-63(87)59(83)55(79)47(27-75)95-67/h1-21,23,45-48,53-68,70-71,73-88H,22,24-28H2/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
InChIKeyZXWWZFCKYCAYJN-DAYYXMHUSA-N
MW1329.33 g/mol
LogP-0.35
Rot. Bonds16

About (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

(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 (PubChem CID 101145949) has the molecular formula C68H72N4O24 and a molecular weight of 1329.33 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID101145949
Molecular FormulaC68H72N4O24
Molecular Weight1329.33 g/mol
Exact Mass1328.45
IUPAC Name(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
SMILESOC[C@H]1O[C@@H](Oc2ccc(-c3c4nc(c(-c5ccc(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)cc5)c5ccc([nH]5)c(-c5ccc(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)cc5)c5nc(c(-c6ccc(O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)cc6)c6ccc3[nH]6)CC5)C=C4)cc2)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C68H72N4O24/c73-25-45-53(77)57(81)61(85)65(93-45)89-33-9-1-29(2-10-33)49-37-17-19-39(69-37)50(30-3-11-34(12-4-30)90-66-62(86)58(82)54(78)46(26-74)94-66)41-21-23-43(71-41)52(32-7-15-36(16-8-32)92-68-64(88)60(84)56(80)48(28-76)96-68)44-24-22-42(72-44)51(40-20-18-38(49)70-40)31-5-13-35(14-6-31)91-67-63(87)59(83)55(79)47(27-75)95-67/h1-21,23,45-48,53-68,70-71,73-88H,22,24-28H2/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
InChIKeyZXWWZFCKYCAYJN-DAYYXMHUSA-N
XLogP-0.35
TPSA454.88 Ų
H-Bond Donors18
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001329.33
LogP ≤ 5-0.35
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1026

Analyze (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 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]-2,3,12,13,22,24-hexahydroporphyrin-5-yl]phenoxy]oxane-3,4,5-triol
CID 102009852
(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
(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,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
(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
2-amino-N-[4-[15-[4-(2-aminopropanoylamino)phenyl]-10,20-bis[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-21,23-dihydroporphyrin-5-yl]phenyl]propanamide
CID 135466972
(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
(3S,6R)-2-(hydroxymethyl)-6-[4-[4-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenoxy]oxane-3,4,5-triol
CID 134423364
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-(10,15,20-tripyridin-4-yl-21,23-dihydroporphyrin-5-yl)phenoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 135456570
2-(hydroxymethyl)-6-[3-[10,15,20-tris[2,3,5,6-tetrafluoro-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylphenyl]-21,23-dihydroporphyrin-5-yl]phenoxy]oxane-3,4,5-triol
CID 154937628
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2-[10,15,20-tris[2-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-21,24-dihydroporphyrin-5-yl]phenoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10011827
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is OC[C@H]1O[C@@H](Oc2ccc(-c3c4nc(c(-c5ccc(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)cc5)c5ccc([nH]5)c(-c5ccc(O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)cc5)c5nc(c(-c6ccc(O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)cc6)c6ccc3[nH]6)CC5)C=C4)cc2)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (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?
The InChIKey is ZXWWZFCKYCAYJN-DAYYXMHUSA-N. The full InChI is InChI=1S/C68H72N4O24/c73-25-45-53(77)57(81)61(85)65(93-45)89-33-9-1-29(2-10-33)49-37-17-19-39(69-37)50(30-3-11-34(12-4-30)90-66-62(86)58(82)54(78)46(26-74)94-66)41-21-23-43(71-41)52(32-7-15-36(16-8-32)92-68-64(88)60(84)56(80)48(28-76)96-68)44-24-22-42(72-44)51(40-20-18-38(49)70-40)31-5-13-35(14-6-31)91-67-63(87)59(83)55(79)47(27-75)95-67/h1-21,23,45-48,53-68,70-71,73-88H,22,24-28H2/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,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?
(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 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,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 is sourced from PubChem (CID 101145949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).