5,10,15,20-tetrakis[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-21,22-dihydroporphyrin

C60H78N4O16 — CID 11766708

IUPAC5,10,15,20-tetrakis[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-21,22-dihydroporphyrin
SMILESCC1(C)OC[C@@H]([C@@H]2OC(C)(C)O[C@H]2c2c3nc(c([C@@H]4OC(C)(C)O[C@H]4[C@@H]4COC(C)(C)O4)c4ccc([nH]4)c([C@@H]4OC(C)(C)O[C@H]4[C@@H]4COC(C)(C)O4)c4ccc([nH]4)c([C@@H]4OC(C)(C)O[C@H]4[C@@H]4COC(C)(C)O4)c4nc2C=C4)C=C3)O1
InChIInChI=1S/C60H78N4O16/c1-53(2)65-25-37(69-53)45-49(77-57(9,10)73-45)41-29-17-19-31(61-29)42(50-46(74-58(11,12)78-50)38-26-66-54(3,4)70-38)33-21-23-35(63-33)44(52-48(76-60(15,16)80-52)40-28-68-56(7,8)72-40)36-24-22-34(64-36)43(32-20-18-30(41)62-32)51-47(75-59(13,14)79-51)39-27-67-55(5,6)71-39/h17-24,37-40,45-52,61-62H,25-28H2,1-16H3/b41-29+,41-30+,42-31+,42-33+,43-32+,43-34+,44-35+,44-36+/t37-,38-,39-,40-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1
InChIKeyWIXJRJLHZHBJFF-IUJMOONKSA-N
MW1111.30 g/mol
LogP10.03
Rot. Bonds8

About 5,10,15,20-tetrakis[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-21,22-dihydroporphyrin

5,10,15,20-tetrakis[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-21,22-dihydroporphyrin (PubChem CID 11766708) has the molecular formula C60H78N4O16 and a molecular weight of 1111.30 g/mol. Its IUPAC name is 5,10,15,20-tetrakis[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-21,22-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-21,22-dihydroporphyrin
PubChem CID11766708
Molecular FormulaC60H78N4O16
Molecular Weight1111.30 g/mol
Exact Mass1110.54
IUPAC Name5,10,15,20-tetrakis[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-21,22-dihydroporphyrin
SMILESCC1(C)OC[C@@H]([C@@H]2OC(C)(C)O[C@H]2c2c3nc(c([C@@H]4OC(C)(C)O[C@H]4[C@@H]4COC(C)(C)O4)c4ccc([nH]4)c([C@@H]4OC(C)(C)O[C@H]4[C@@H]4COC(C)(C)O4)c4ccc([nH]4)c([C@@H]4OC(C)(C)O[C@H]4[C@@H]4COC(C)(C)O4)c4nc2C=C4)C=C3)O1
InChIInChI=1S/C60H78N4O16/c1-53(2)65-25-37(69-53)45-49(77-57(9,10)73-45)41-29-17-19-31(61-29)42(50-46(74-58(11,12)78-50)38-26-66-54(3,4)70-38)33-21-23-35(63-33)44(52-48(76-60(15,16)80-52)40-28-68-56(7,8)72-40)36-24-22-34(64-36)43(32-20-18-30(41)62-32)51-47(75-59(13,14)79-51)39-27-67-55(5,6)71-39/h17-24,37-40,45-52,61-62H,25-28H2,1-16H3/b41-29+,41-30+,42-31+,42-33+,43-32+,43-34+,44-35+,44-36+/t37-,38-,39-,40-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1
InChIKeyWIXJRJLHZHBJFF-IUJMOONKSA-N
XLogP10.03
TPSA205.04 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001111.30
LogP ≤ 510.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Analyze 5,10,15,20-tetrakis[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-21,22-dihydroporphyrin with MolForge

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Launch Full Analysis

Related Compounds

(1R)-1-[(4R,5R)-2,2-dimethyl-5-[10,15,20-tris[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-21,22-dihydroporphyrin-5-yl]-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 10328760
(1R)-1-[(4R,5R)-5-[15-[(4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-10,20-bis[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-21,24-dihydroporphyrin-5-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 10418571
5,10,15,20-tetrakis[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-21,22-dihydroporphyrin
CID 11766496
(8R,12R,22R,26R,36R,40R,68R,72R)-10,10,24,24,38,38,70,70-octamethyl-6,9,11,14,20,23,25,28,34,37,39,42,66,69,71,74-hexadecaoxa-79,81,83,84-tetrazaheptadecacyclo[45.18.9.449,64.115,59.129,54.150,53.155,58.160,63.05,65.08,12.022,26.036,40.043,48.068,72.175,78.019,80.033,82]tetraoctaconta-1(65),2,4,15(80),16,18,29,31,33(82),43,45,47,49(78),50(83),51,53,55,57,59,61,63(79),64(75),76-tricosaene
CID 135417361
4-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-amine
CID 11737990
(6S,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 90733947
(3aS,6R,6aR)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
CID 7107167
(3aS,4R,6R,6aR)-6-benzyl-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 59585327
2-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1H-indole
CID 71604947
(2S,3R,4R,5R)-4-methoxy-5-[10,15,20-tris[(2R,3R,4R,5S)-4,5-dihydroxy-3-methoxyoxolan-2-yl]-21,24-dihydroporphyrin-5-yl]oxolane-2,3-diol
CID 101062988
2-[(3aR,4S,6aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1H-pyrrole
CID 10244821
(4R,5R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-[(2R)-3-methyloxiran-2-yl]-1,3-dioxolane
CID 102250343

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-21,22-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-21,22-dihydroporphyrin (CID 11766708) is 5,10,15,20-tetrakis[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-21,22-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-21,22-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-21,22-dihydroporphyrin is CC1(C)OC[C@@H]([C@@H]2OC(C)(C)O[C@H]2c2c3nc(c([C@@H]4OC(C)(C)O[C@H]4[C@@H]4COC(C)(C)O4)c4ccc([nH]4)c([C@@H]4OC(C)(C)O[C@H]4[C@@H]4COC(C)(C)O4)c4ccc([nH]4)c([C@@H]4OC(C)(C)O[C@H]4[C@@H]4COC(C)(C)O4)c4nc2C=C4)C=C3)O1.
What is the InChIKey of 5,10,15,20-tetrakis[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-21,22-dihydroporphyrin?
The InChIKey is WIXJRJLHZHBJFF-IUJMOONKSA-N. The full InChI is InChI=1S/C60H78N4O16/c1-53(2)65-25-37(69-53)45-49(77-57(9,10)73-45)41-29-17-19-31(61-29)42(50-46(74-58(11,12)78-50)38-26-66-54(3,4)70-38)33-21-23-35(63-33)44(52-48(76-60(15,16)80-52)40-28-68-56(7,8)72-40)36-24-22-34(64-36)43(32-20-18-30(41)62-32)51-47(75-59(13,14)79-51)39-27-67-55(5,6)71-39/h17-24,37-40,45-52,61-62H,25-28H2,1-16H3/b41-29+,41-30+,42-31+,42-33+,43-32+,43-34+,44-35+,44-36+/t37-,38-,39-,40-,45-,46-,47-,48-,49-,50-,51-,52-/m0/s1.
What are the key properties of 5,10,15,20-tetrakis[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-21,22-dihydroporphyrin?
5,10,15,20-tetrakis[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-21,22-dihydroporphyrin has a molecular weight of 1111.30 g/mol, XLogP of 10.03, 8 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-21,22-dihydroporphyrin is sourced from PubChem (CID 11766708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).