(1R,3R,4R,6R,8R,9R,11R,13R,14S,15R,16R,18R,19R,21R,23R,24R,26R,28R,29S,30R,32R,41R,43R,44S,45R,46S,47R,48S,49R,50S)-14,15,29,30,43,44,45,46,47,48,49,50-dodecamethoxy-4,9,19,24-tetrakis(methoxymethyl)-2,5,7,10,12,17,20,22,25,27,31,34,39,42-tetradecaoxaoctacyclo[14.14.12.23,6.28,11.218,21.223,26.013,41.028,32]pentacontane

C56H98O30 — CID 25228966

IUPAC(1R,3R,4R,6R,8R,9R,11R,13R,14S,15R,16R,18R,19R,21R,23R,24R,26R,28R,29S,30R,32R,41R,43R,44S,45R,46S,47R,48S,49R,50S)-14,15,29,30,43,44,45,46,47,48,49,50-dodecamethoxy-4,9,19,24-tetrakis(methoxymethyl)-2,5,7,10,12,17,20,22,25,27,31,34,39,42-tetradecaoxaoctacyclo[14.14.12.23,6.28,11.218,21.223,26.013,41.028,32]pentacontane
SMILESCOC[C@H]1O[C@@H]2O[C@H]3[C@H](OC)[C@@H](OC)[C@H]4O[C@H]5[C@H](OC)[C@@H](OC)[C@@H](O[C@H]6[C@H](OC)[C@@H](OC)[C@@H](O[C@H]7[C@H](OC)[C@@H](OC)[C@@H](O[C@H]8[C@H](OC)[C@@H](OC)[C@@H](O[C@H]1[C@H](OC)[C@H]2OC)O[C@@H]8COC)O[C@@H]7COCCCCOC[C@H]3O4)O[C@@H]6COC)O[C@@H]5COC
InChIInChI=1S/C56H98O30/c1-57-21-27-33-39(61-5)47(69-13)53(77-27)85-37-31-25-73-19-17-18-20-74-26-32-38(44(66-10)50(72-16)56(80-32)83-35-29(23-59-3)75-51(81-33)45(67-11)41(35)63-7)86-54-48(70-14)40(62-6)34(28(78-54)22-58-2)82-52-46(68-12)42(64-8)36(30(76-52)24-60-4)84-55(79-31)49(71-15)43(37)65-9/h27-56H,17-26H2,1-16H3/t27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39+,40+,41+,42+,43+,44+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m1/s1
InChIKeyAHDPHONOSOOLSZ-GJYVKNEMSA-N
MW1251.37 g/mol
LogP-0.75
Rot. Bonds20

About (1R,3R,4R,6R,8R,9R,11R,13R,14S,15R,16R,18R,19R,21R,23R,24R,26R,28R,29S,30R,32R,41R,43R,44S,45R,46S,47R,48S,49R,50S)-14,15,29,30,43,44,45,46,47,48,49,50-dodecamethoxy-4,9,19,24-tetrakis(methoxymethyl)-2,5,7,10,12,17,20,22,25,27,31,34,39,42-tetradecaoxaoctacyclo[14.14.12.23,6.28,11.218,21.223,26.013,41.028,32]pentacontane

(1R,3R,4R,6R,8R,9R,11R,13R,14S,15R,16R,18R,19R,21R,23R,24R,26R,28R,29S,30R,32R,41R,43R,44S,45R,46S,47R,48S,49R,50S)-14,15,29,30,43,44,45,46,47,48,49,50-dodecamethoxy-4,9,19,24-tetrakis(methoxymethyl)-2,5,7,10,12,17,20,22,25,27,31,34,39,42-tetradecaoxaoctacyclo[14.14.12.23,6.28,11.218,21.223,26.013,41.028,32]pentacontane (PubChem CID 25228966) has the molecular formula C56H98O30 and a molecular weight of 1251.37 g/mol. Its IUPAC name is (1R,3R,4R,6R,8R,9R,11R,13R,14S,15R,16R,18R,19R,21R,23R,24R,26R,28R,29S,30R,32R,41R,43R,44S,45R,46S,47R,48S,49R,50S)-14,15,29,30,43,44,45,46,47,48,49,50-dodecamethoxy-4,9,19,24-tetrakis(methoxymethyl)-2,5,7,10,12,17,20,22,25,27,31,34,39,42-tetradecaoxaoctacyclo[14.14.12.23,6.28,11.218,21.223,26.013,41.028,32]pentacontane.

Molecular Properties

Compound Name(1R,3R,4R,6R,8R,9R,11R,13R,14S,15R,16R,18R,19R,21R,23R,24R,26R,28R,29S,30R,32R,41R,43R,44S,45R,46S,47R,48S,49R,50S)-14,15,29,30,43,44,45,46,47,48,49,50-dodecamethoxy-4,9,19,24-tetrakis(methoxymethyl)-2,5,7,10,12,17,20,22,25,27,31,34,39,42-tetradecaoxaoctacyclo[14.14.12.23,6.28,11.218,21.223,26.013,41.028,32]pentacontane
PubChem CID25228966
Molecular FormulaC56H98O30
Molecular Weight1251.37 g/mol
Exact Mass1250.61
IUPAC Name(1R,3R,4R,6R,8R,9R,11R,13R,14S,15R,16R,18R,19R,21R,23R,24R,26R,28R,29S,30R,32R,41R,43R,44S,45R,46S,47R,48S,49R,50S)-14,15,29,30,43,44,45,46,47,48,49,50-dodecamethoxy-4,9,19,24-tetrakis(methoxymethyl)-2,5,7,10,12,17,20,22,25,27,31,34,39,42-tetradecaoxaoctacyclo[14.14.12.23,6.28,11.218,21.223,26.013,41.028,32]pentacontane
SMILESCOC[C@H]1O[C@@H]2O[C@H]3[C@H](OC)[C@@H](OC)[C@H]4O[C@H]5[C@H](OC)[C@@H](OC)[C@@H](O[C@H]6[C@H](OC)[C@@H](OC)[C@@H](O[C@H]7[C@H](OC)[C@@H](OC)[C@@H](O[C@H]8[C@H](OC)[C@@H](OC)[C@@H](O[C@H]1[C@H](OC)[C@H]2OC)O[C@@H]8COC)O[C@@H]7COCCCCOC[C@H]3O4)O[C@@H]6COC)O[C@@H]5COC
InChIInChI=1S/C56H98O30/c1-57-21-27-33-39(61-5)47(69-13)53(77-27)85-37-31-25-73-19-17-18-20-74-26-32-38(44(66-10)50(72-16)56(80-32)83-35-29(23-59-3)75-51(81-33)45(67-11)41(35)63-7)86-54-48(70-14)40(62-6)34(28(78-54)22-58-2)82-52-46(68-12)42(64-8)36(30(76-52)24-60-4)84-55(79-31)49(71-15)43(37)65-9/h27-56H,17-26H2,1-16H3/t27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39+,40+,41+,42+,43+,44+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m1/s1
InChIKeyAHDPHONOSOOLSZ-GJYVKNEMSA-N
XLogP-0.75
TPSA276.90 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001251.37
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze (1R,3R,4R,6R,8R,9R,11R,13R,14S,15R,16R,18R,19R,21R,23R,24R,26R,28R,29S,30R,32R,41R,43R,44S,45R,46S,47R,48S,49R,50S)-14,15,29,30,43,44,45,46,47,48,49,50-dodecamethoxy-4,9,19,24-tetrakis(methoxymethyl)-2,5,7,10,12,17,20,22,25,27,31,34,39,42-tetradecaoxaoctacyclo[14.14.12.23,6.28,11.218,21.223,26.013,41.028,32]pentacontane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,4R,6R,8R,9R,11R,13R,14S,15R,16R,18R,19R,21R,23R,24R,26R,28R,29S,30R,32R,41R,43R,44S,45R,46S,47R,48S,49R,50S)-14,15,29,30,43,44,45,46,47,48,49,50-dodecamethoxy-4,9,19,24-tetrakis(methoxymethyl)-2,5,7,10,12,17,20,22,25,27,31,34,39,42-tetradecaoxaoctacyclo[14.14.12.23,6.28,11.218,21.223,26.013,41.028,32]pentacontane?
The IUPAC name of (1R,3R,4R,6R,8R,9R,11R,13R,14S,15R,16R,18R,19R,21R,23R,24R,26R,28R,29S,30R,32R,41R,43R,44S,45R,46S,47R,48S,49R,50S)-14,15,29,30,43,44,45,46,47,48,49,50-dodecamethoxy-4,9,19,24-tetrakis(methoxymethyl)-2,5,7,10,12,17,20,22,25,27,31,34,39,42-tetradecaoxaoctacyclo[14.14.12.23,6.28,11.218,21.223,26.013,41.028,32]pentacontane (CID 25228966) is (1R,3R,4R,6R,8R,9R,11R,13R,14S,15R,16R,18R,19R,21R,23R,24R,26R,28R,29S,30R,32R,41R,43R,44S,45R,46S,47R,48S,49R,50S)-14,15,29,30,43,44,45,46,47,48,49,50-dodecamethoxy-4,9,19,24-tetrakis(methoxymethyl)-2,5,7,10,12,17,20,22,25,27,31,34,39,42-tetradecaoxaoctacyclo[14.14.12.23,6.28,11.218,21.223,26.013,41.028,32]pentacontane.
What is the SMILES notation for (1R,3R,4R,6R,8R,9R,11R,13R,14S,15R,16R,18R,19R,21R,23R,24R,26R,28R,29S,30R,32R,41R,43R,44S,45R,46S,47R,48S,49R,50S)-14,15,29,30,43,44,45,46,47,48,49,50-dodecamethoxy-4,9,19,24-tetrakis(methoxymethyl)-2,5,7,10,12,17,20,22,25,27,31,34,39,42-tetradecaoxaoctacyclo[14.14.12.23,6.28,11.218,21.223,26.013,41.028,32]pentacontane?
The canonical SMILES for (1R,3R,4R,6R,8R,9R,11R,13R,14S,15R,16R,18R,19R,21R,23R,24R,26R,28R,29S,30R,32R,41R,43R,44S,45R,46S,47R,48S,49R,50S)-14,15,29,30,43,44,45,46,47,48,49,50-dodecamethoxy-4,9,19,24-tetrakis(methoxymethyl)-2,5,7,10,12,17,20,22,25,27,31,34,39,42-tetradecaoxaoctacyclo[14.14.12.23,6.28,11.218,21.223,26.013,41.028,32]pentacontane is COC[C@H]1O[C@@H]2O[C@H]3[C@H](OC)[C@@H](OC)[C@H]4O[C@H]5[C@H](OC)[C@@H](OC)[C@@H](O[C@H]6[C@H](OC)[C@@H](OC)[C@@H](O[C@H]7[C@H](OC)[C@@H](OC)[C@@H](O[C@H]8[C@H](OC)[C@@H](OC)[C@@H](O[C@H]1[C@H](OC)[C@H]2OC)O[C@@H]8COC)O[C@@H]7COCCCCOC[C@H]3O4)O[C@@H]6COC)O[C@@H]5COC.
What is the InChIKey of (1R,3R,4R,6R,8R,9R,11R,13R,14S,15R,16R,18R,19R,21R,23R,24R,26R,28R,29S,30R,32R,41R,43R,44S,45R,46S,47R,48S,49R,50S)-14,15,29,30,43,44,45,46,47,48,49,50-dodecamethoxy-4,9,19,24-tetrakis(methoxymethyl)-2,5,7,10,12,17,20,22,25,27,31,34,39,42-tetradecaoxaoctacyclo[14.14.12.23,6.28,11.218,21.223,26.013,41.028,32]pentacontane?
The InChIKey is AHDPHONOSOOLSZ-GJYVKNEMSA-N. The full InChI is InChI=1S/C56H98O30/c1-57-21-27-33-39(61-5)47(69-13)53(77-27)85-37-31-25-73-19-17-18-20-74-26-32-38(44(66-10)50(72-16)56(80-32)83-35-29(23-59-3)75-51(81-33)45(67-11)41(35)63-7)86-54-48(70-14)40(62-6)34(28(78-54)22-58-2)82-52-46(68-12)42(64-8)36(30(76-52)24-60-4)84-55(79-31)49(71-15)43(37)65-9/h27-56H,17-26H2,1-16H3/t27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39+,40+,41+,42+,43+,44+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m1/s1.
What are the key properties of (1R,3R,4R,6R,8R,9R,11R,13R,14S,15R,16R,18R,19R,21R,23R,24R,26R,28R,29S,30R,32R,41R,43R,44S,45R,46S,47R,48S,49R,50S)-14,15,29,30,43,44,45,46,47,48,49,50-dodecamethoxy-4,9,19,24-tetrakis(methoxymethyl)-2,5,7,10,12,17,20,22,25,27,31,34,39,42-tetradecaoxaoctacyclo[14.14.12.23,6.28,11.218,21.223,26.013,41.028,32]pentacontane?
(1R,3R,4R,6R,8R,9R,11R,13R,14S,15R,16R,18R,19R,21R,23R,24R,26R,28R,29S,30R,32R,41R,43R,44S,45R,46S,47R,48S,49R,50S)-14,15,29,30,43,44,45,46,47,48,49,50-dodecamethoxy-4,9,19,24-tetrakis(methoxymethyl)-2,5,7,10,12,17,20,22,25,27,31,34,39,42-tetradecaoxaoctacyclo[14.14.12.23,6.28,11.218,21.223,26.013,41.028,32]pentacontane has a molecular weight of 1251.37 g/mol, XLogP of -0.75, 20 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,4R,6R,8R,9R,11R,13R,14S,15R,16R,18R,19R,21R,23R,24R,26R,28R,29S,30R,32R,41R,43R,44S,45R,46S,47R,48S,49R,50S)-14,15,29,30,43,44,45,46,47,48,49,50-dodecamethoxy-4,9,19,24-tetrakis(methoxymethyl)-2,5,7,10,12,17,20,22,25,27,31,34,39,42-tetradecaoxaoctacyclo[14.14.12.23,6.28,11.218,21.223,26.013,41.028,32]pentacontane is sourced from PubChem (CID 25228966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).