(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

C57H74N4O16 — CID 10328760

IUPAC(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
SMILESCC1(C)O[C@H]([C@H](O)CO)[C@@H](c2c3ccc([nH]3)c([C@H]3OC(C)(C)O[C@@H]3[C@H]3COC(C)(C)O3)c3nc(c([C@H]4OC(C)(C)O[C@@H]4[C@H]4COC(C)(C)O4)c4nc(c([C@H]5OC(C)(C)O[C@@H]5[C@H]5COC(C)(C)O5)c5ccc2[nH]5)C=C4)C=C3)O1
InChIInChI=1S/C57H74N4O16/c1-51(2)64-24-36(67-51)44-48(75-55(9,10)71-44)40-29-17-15-27(58-29)39(47-43(35(63)23-62)70-54(7,8)74-47)28-16-18-30(59-28)41(49-45(72-56(11,12)76-49)37-25-65-52(3,4)68-37)32-20-22-34(61-32)42(33-21-19-31(40)60-33)50-46(73-57(13,14)77-50)38-26-66-53(5,6)69-38/h15-22,35-38,43-50,58-59,62-63H,23-26H2,1-14H3/b39-27+,39-28+,40-29+,40-31+,41-30+,41-32+,42-33+,42-34+/t35-,36-,37-,38-,43-,44-,45-,46-,47-,48-,49-,50-/m1/s1
InChIKeyGTGCQDDPVOARPW-KMFXMECFSA-N
MW1071.23 g/mol
LogP8.23
Rot. Bonds9

About (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

(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 (PubChem CID 10328760) has the molecular formula C57H74N4O16 and a molecular weight of 1071.23 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID10328760
Molecular FormulaC57H74N4O16
Molecular Weight1071.23 g/mol
Exact Mass1070.51
IUPAC Name(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
SMILESCC1(C)O[C@H]([C@H](O)CO)[C@@H](c2c3ccc([nH]3)c([C@H]3OC(C)(C)O[C@@H]3[C@H]3COC(C)(C)O3)c3nc(c([C@H]4OC(C)(C)O[C@@H]4[C@H]4COC(C)(C)O4)c4nc(c([C@H]5OC(C)(C)O[C@@H]5[C@H]5COC(C)(C)O5)c5ccc2[nH]5)C=C4)C=C3)O1
InChIInChI=1S/C57H74N4O16/c1-51(2)64-24-36(67-51)44-48(75-55(9,10)71-44)40-29-17-15-27(58-29)39(47-43(35(63)23-62)70-54(7,8)74-47)28-16-18-30(59-28)41(49-45(72-56(11,12)76-49)37-25-65-52(3,4)68-37)32-20-22-34(61-32)42(33-21-19-31(40)60-33)50-46(73-57(13,14)77-50)38-26-66-53(5,6)69-38/h15-22,35-38,43-50,58-59,62-63H,23-26H2,1-14H3/b39-27+,39-28+,40-29+,40-31+,41-30+,41-32+,42-33+,42-34+/t35-,36-,37-,38-,43-,44-,45-,46-,47-,48-,49-,50-/m1/s1
InChIKeyGTGCQDDPVOARPW-KMFXMECFSA-N
XLogP8.23
TPSA227.04 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001071.23
LogP ≤ 58.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

(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[(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
(1S)-1-[(4S,5S)-2,2-dimethyl-5-[10,15,20-tris[(4S,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5,10,15,20,21,22,23,24-octahydroporphyrin-5-yl]-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 10463854
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
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
(Z,1R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]hex-3-en-1-ol
CID 11808745
(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
(1R)-1-[(4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 6541365
(1S)-1-[(4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 688134
(1R,3R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1,3-thiazol-2-yl)propane-1,3-diol
CID 10937265
N-benzyl-N-[(1S,2R)-1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-hydroxypent-4-en-2-yl]acetamide
CID 102374464
1-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-nitroethanol
CID 73334090

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1(C)O[C@H]([C@H](O)CO)[C@@H](c2c3ccc([nH]3)c([C@H]3OC(C)(C)O[C@@H]3[C@H]3COC(C)(C)O3)c3nc(c([C@H]4OC(C)(C)O[C@@H]4[C@H]4COC(C)(C)O4)c4nc(c([C@H]5OC(C)(C)O[C@@H]5[C@H]5COC(C)(C)O5)c5ccc2[nH]5)C=C4)C=C3)O1.
What is the InChIKey of (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?
The InChIKey is GTGCQDDPVOARPW-KMFXMECFSA-N. The full InChI is InChI=1S/C57H74N4O16/c1-51(2)64-24-36(67-51)44-48(75-55(9,10)71-44)40-29-17-15-27(58-29)39(47-43(35(63)23-62)70-54(7,8)74-47)28-16-18-30(59-28)41(49-45(72-56(11,12)76-49)37-25-65-52(3,4)68-37)32-20-22-34(61-32)42(33-21-19-31(40)60-33)50-46(73-57(13,14)77-50)38-26-66-53(5,6)69-38/h15-22,35-38,43-50,58-59,62-63H,23-26H2,1-14H3/b39-27+,39-28+,40-29+,40-31+,41-30+,41-32+,42-33+,42-34+/t35-,36-,37-,38-,43-,44-,45-,46-,47-,48-,49-,50-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 1071.23 g/mol, XLogP of 8.23, 9 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 10328760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).