(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

C62H62N4O18 — CID 10351291

IUPAC(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
SMILESOC[C@H]1O[C@@H](Oc2cccc(-c3c4nc(c(-c5ccccc5)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
InChIInChI=1S/C62H62N4O18/c67-26-44-51(70)54(73)57(76)60(82-44)79-33-12-4-9-30(23-33)48-38-17-15-36(63-38)47(29-7-2-1-3-8-29)37-16-18-39(64-37)49(31-10-5-13-34(24-31)80-61-58(77)55(74)52(71)45(27-68)83-61)41-20-22-43(66-41)50(42-21-19-40(48)65-42)32-11-6-14-35(25-32)81-62-59(78)56(75)53(72)46(28-69)84-62/h1-19,21,23-25,44-46,51-62,64-65,67-78H,20,22,26-28H2/b47-36-,47-37-,48-38-,48-40-,49-39-,49-41-,50-42-,50-43-/t44-,45-,46-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m1/s1
InChIKeyNDVROVLKDBUUAV-MIBDPICDSA-N
MW1151.19 g/mol
LogP2.47
Rot. Bonds13

About (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

(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 (PubChem CID 10351291) has the molecular formula C62H62N4O18 and a molecular weight of 1151.19 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID10351291
Molecular FormulaC62H62N4O18
Molecular Weight1151.19 g/mol
Exact Mass1150.41
IUPAC Name(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
SMILESOC[C@H]1O[C@@H](Oc2cccc(-c3c4nc(c(-c5ccccc5)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
InChIInChI=1S/C62H62N4O18/c67-26-44-51(70)54(73)57(76)60(82-44)79-33-12-4-9-30(23-33)48-38-17-15-36(63-38)47(29-7-2-1-3-8-29)37-16-18-39(64-37)49(31-10-5-13-34(24-31)80-61-58(77)55(74)52(71)45(27-68)83-61)41-20-22-43(66-41)50(42-21-19-40(48)65-42)32-11-6-14-35(25-32)81-62-59(78)56(75)53(72)46(28-69)84-62/h1-19,21,23-25,44-46,51-62,64-65,67-78H,20,22,26-28H2/b47-36-,47-37-,48-38-,48-40-,49-39-,49-41-,50-42-,50-43-/t44-,45-,46-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m1/s1
InChIKeyNDVROVLKDBUUAV-MIBDPICDSA-N
XLogP2.47
TPSA355.50 Ų
H-Bond Donors14
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001151.19
LogP ≤ 52.47
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1020

Analyze (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 with MolForge

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Related Compounds

(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,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
(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
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,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
(2S,3S,4R,5R)-2-[3-[10,15,20-tris[3-[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]-2,3,12,13,22,24-hexahydroporphyrin-5-yl]phenoxy]oxane-3,4,5-triol
CID 87662410
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[3-[10,15,20-tris[3-[(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 139606961
(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
(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
(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-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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is OC[C@H]1O[C@@H](Oc2cccc(-c3c4nc(c(-c5ccccc5)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,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?
The InChIKey is NDVROVLKDBUUAV-MIBDPICDSA-N. The full InChI is InChI=1S/C62H62N4O18/c67-26-44-51(70)54(73)57(76)60(82-44)79-33-12-4-9-30(23-33)48-38-17-15-36(63-38)47(29-7-2-1-3-8-29)37-16-18-39(64-37)49(31-10-5-13-34(24-31)80-61-58(77)55(74)52(71)45(27-68)83-61)41-20-22-43(66-41)50(42-21-19-40(48)65-42)32-11-6-14-35(25-32)81-62-59(78)56(75)53(72)46(28-69)84-62/h1-19,21,23-25,44-46,51-62,64-65,67-78H,20,22,26-28H2/b47-36-,47-37-,48-38-,48-40-,49-39-,49-41-,50-42-,50-43-/t44-,45-,46-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 1151.19 g/mol, XLogP of 2.47, 13 rotatable bonds, 14 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 10351291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).