(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

C92H110N4O40 — CID 139606961

IUPAC(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
SMILESOC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(c3cccc(-c4c5nc(c(-c6cccc(C7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)c6)c6ccc([nH]6)c(-c6cccc(C7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)c6)c6nc(c(-c7cccc(C8O[C@H](CO)[C@@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)C(O)[C@H]8O)c7)c7ccc4[nH]7)C=C6)C=C5)c3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C92H110N4O40/c97-25-49-61(105)65(109)77(121)89(129-49)133-85-53(29-101)125-81(69(113)73(85)117)37-9-1-5-33(21-37)57-41-13-15-43(93-41)58(34-6-2-10-38(22-34)82-70(114)74(118)86(54(30-102)126-82)134-90-78(122)66(110)62(106)50(26-98)130-90)45-17-19-47(95-45)60(36-8-4-12-40(24-36)84-72(116)76(120)88(56(32-104)128-84)136-92-80(124)68(112)64(108)52(28-100)132-92)48-20-18-46(96-48)59(44-16-14-42(57)94-44)35-7-3-11-39(23-35)83-71(115)75(119)87(55(31-103)127-83)135-91-79(123)67(111)63(107)51(27-99)131-91/h1-24,49-56,61-93,96-124H,25-32H2/b57-41-,57-42-,58-43-,58-45-,59-44-,59-46-,60-47-,60-48-/t49-,50-,51-,52-,53-,54-,55-,56-,61+,62+,63+,64+,65+,66+,67+,68+,69-,70-,71-,72-,73-,74-,75-,76?,77-,78-,79-,80-,81?,82?,83?,84?,85-,86-,87-,88-,89+,90+,91+,92+/m1/s1
InChIKeyFOBSDLGWMVTNRI-BPVWBLKNSA-N
MW1911.88 g/mol
LogP-7.32
Rot. Bonds24

About (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

(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 (PubChem CID 139606961) has the molecular formula C92H110N4O40 and a molecular weight of 1911.88 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID139606961
Molecular FormulaC92H110N4O40
Molecular Weight1911.88 g/mol
Exact Mass1910.67
IUPAC Name(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
SMILESOC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(c3cccc(-c4c5nc(c(-c6cccc(C7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)c6)c6ccc([nH]6)c(-c6cccc(C7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)c6)c6nc(c(-c7cccc(C8O[C@H](CO)[C@@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)C(O)[C@H]8O)c7)c7ccc4[nH]7)C=C6)C=C5)c3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C92H110N4O40/c97-25-49-61(105)65(109)77(121)89(129-49)133-85-53(29-101)125-81(69(113)73(85)117)37-9-1-5-33(21-37)57-41-13-15-43(93-41)58(34-6-2-10-38(22-34)82-70(114)74(118)86(54(30-102)126-82)134-90-78(122)66(110)62(106)50(26-98)130-90)45-17-19-47(95-45)60(36-8-4-12-40(24-36)84-72(116)76(120)88(56(32-104)128-84)136-92-80(124)68(112)64(108)52(28-100)132-92)48-20-18-46(96-48)59(44-16-14-42(57)94-44)35-7-3-11-39(23-35)83-71(115)75(119)87(55(31-103)127-83)135-91-79(123)67(111)63(107)51(27-99)131-91/h1-24,49-56,61-93,96-124H,25-32H2/b57-41-,57-42-,58-43-,58-45-,59-44-,59-46-,60-47-,60-48-/t49-,50-,51-,52-,53-,54-,55-,56-,61+,62+,63+,64+,65+,66+,67+,68+,69-,70-,71-,72-,73-,74-,75-,76?,77-,78-,79-,80-,81?,82?,83?,84?,85-,86-,87-,88-,89+,90+,91+,92+/m1/s1
InChIKeyFOBSDLGWMVTNRI-BPVWBLKNSA-N
XLogP-7.32
TPSA734.56 Ų
H-Bond Donors30
H-Bond Acceptors42
Rotatable Bonds24
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001911.88
LogP ≤ 5-7.32
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1042

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
(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,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
(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,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,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
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)-4,5-dihydroxy-2-(hydroxymethyl)-6-[2,3,5,6-tetrafluoro-4-[(19S,23R)-2,12,17-tris[4-[(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]sulfanyl-2,3,5,6-tetrafluorophenyl]-21-methyl-21,24,25,26,27-pentazahexacyclo[16.5.1.13,6.18,11.113,16.019,23]heptacosa-1(24),2,4,6,8(26),9,11,13,15,17-decaen-7-yl]phenyl]sulfanyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 177412600
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,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]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10462067
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[1-[3-[4-[[2,3,5,6-tetrafluoro-4-[10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]anilino]methyl]triazol-1-yl]propyl]triazol-4-yl]methoxy]oxane-3,4,5-triol
CID 137265193

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(c3cccc(-c4c5nc(c(-c6cccc(C7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)c6)c6ccc([nH]6)c(-c6cccc(C7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)c6)c6nc(c(-c7cccc(C8O[C@H](CO)[C@@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)C(O)[C@H]8O)c7)c7ccc4[nH]7)C=C6)C=C5)c3)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (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?
The InChIKey is FOBSDLGWMVTNRI-BPVWBLKNSA-N. The full InChI is InChI=1S/C92H110N4O40/c97-25-49-61(105)65(109)77(121)89(129-49)133-85-53(29-101)125-81(69(113)73(85)117)37-9-1-5-33(21-37)57-41-13-15-43(93-41)58(34-6-2-10-38(22-34)82-70(114)74(118)86(54(30-102)126-82)134-90-78(122)66(110)62(106)50(26-98)130-90)45-17-19-47(95-45)60(36-8-4-12-40(24-36)84-72(116)76(120)88(56(32-104)128-84)136-92-80(124)68(112)64(108)52(28-100)132-92)48-20-18-46(96-48)59(44-16-14-42(57)94-44)35-7-3-11-39(23-35)83-71(115)75(119)87(55(31-103)127-83)135-91-79(123)67(111)63(107)51(27-99)131-91/h1-24,49-56,61-93,96-124H,25-32H2/b57-41-,57-42-,58-43-,58-45-,59-44-,59-46-,60-47-,60-48-/t49-,50-,51-,52-,53-,54-,55-,56-,61+,62+,63+,64+,65+,66+,67+,68+,69-,70-,71-,72-,73-,74-,75-,76?,77-,78-,79-,80-,81?,82?,83?,84?,85-,86-,87-,88-,89+,90+,91+,92+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 1911.88 g/mol, XLogP of -7.32, 24 rotatable bonds, 30 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 139606961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).