(3R,6R,9S,12R,15R,18R,21R,24R,27S,30R,33R)-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,15,21-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

C63H112N10O13 — CID 157122954

IUPAC(3R,6R,9S,12R,15R,18R,21R,24R,27S,30R,33R)-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,15,21-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
SMILESCC(C)C[C@@H]1C(=O)N[C@H](C)C(=O)C[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](C(C)C)C(=O)N(C)[C@H]([C@@H]2OC(O)C[C@H]2C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N1C
InChIInChI=1S/C63H112N10O13/c1-32(2)26-43-54(76)64-41(17)47(74)30-40(16)57(79)70(22)45(28-34(5)6)59(81)71(23)46(29-35(7)8)60(82)72(24)51(38(13)14)63(85)73(25)52(53-39(15)31-48(75)86-53)56(78)66-49(36(9)10)61(83)67(19)42(18)58(80)68(20)44(27-33(3)4)55(77)65-50(37(11)12)62(84)69(43)21/h32-46,48-53,75H,26-31H2,1-25H3,(H,64,76)(H,65,77)(H,66,78)/t39-,40-,41-,42-,43-,44+,45+,46-,48?,49-,50-,51-,52-,53-/m1/s1
InChIKeyDGAOJTMNIPXYKQ-MJOBKBLISA-N
MW1217.65 g/mol
LogP3.77
Rot. Bonds12

About (3R,6R,9S,12R,15R,18R,21R,24R,27S,30R,33R)-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,15,21-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone

(3R,6R,9S,12R,15R,18R,21R,24R,27S,30R,33R)-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,15,21-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone (PubChem CID 157122954) has the molecular formula C63H112N10O13 and a molecular weight of 1217.65 g/mol. Its IUPAC name is (3R,6R,9S,12R,15R,18R,21R,24R,27S,30R,33R)-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,15,21-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone.

Molecular Properties

Compound Name(3R,6R,9S,12R,15R,18R,21R,24R,27S,30R,33R)-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,15,21-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
PubChem CID157122954
Molecular FormulaC63H112N10O13
Molecular Weight1217.65 g/mol
Exact Mass1216.84
IUPAC Name(3R,6R,9S,12R,15R,18R,21R,24R,27S,30R,33R)-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,15,21-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
SMILESCC(C)C[C@@H]1C(=O)N[C@H](C)C(=O)C[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](C(C)C)C(=O)N(C)[C@H]([C@@H]2OC(O)C[C@H]2C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N1C
InChIInChI=1S/C63H112N10O13/c1-32(2)26-43-54(76)64-41(17)47(74)30-40(16)57(79)70(22)45(28-34(5)6)59(81)71(23)46(29-35(7)8)60(82)72(24)51(38(13)14)63(85)73(25)52(53-39(15)31-48(75)86-53)56(78)66-49(36(9)10)61(83)67(19)42(18)58(80)68(20)44(27-33(3)4)55(77)65-50(37(11)12)62(84)69(43)21/h32-46,48-53,75H,26-31H2,1-25H3,(H,64,76)(H,65,77)(H,66,78)/t39-,40-,41-,42-,43-,44+,45+,46-,48?,49-,50-,51-,52-,53-/m1/s1
InChIKeyDGAOJTMNIPXYKQ-MJOBKBLISA-N
XLogP3.77
TPSA276.00 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001217.65
LogP ≤ 53.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze (3R,6R,9S,12R,15R,18R,21R,24R,27S,30R,33R)-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,15,21-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,6R,9S,12R,15R,18R,21R,24R,27S,30R,33R)-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,15,21-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?
The IUPAC name of (3R,6R,9S,12R,15R,18R,21R,24R,27S,30R,33R)-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,15,21-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone (CID 157122954) is (3R,6R,9S,12R,15R,18R,21R,24R,27S,30R,33R)-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,15,21-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone.
What is the SMILES notation for (3R,6R,9S,12R,15R,18R,21R,24R,27S,30R,33R)-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,15,21-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?
The canonical SMILES for (3R,6R,9S,12R,15R,18R,21R,24R,27S,30R,33R)-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,15,21-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone is CC(C)C[C@@H]1C(=O)N[C@H](C)C(=O)C[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](C(C)C)C(=O)N(C)[C@H]([C@@H]2OC(O)C[C@H]2C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N1C.
What is the InChIKey of (3R,6R,9S,12R,15R,18R,21R,24R,27S,30R,33R)-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,15,21-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?
The InChIKey is DGAOJTMNIPXYKQ-MJOBKBLISA-N. The full InChI is InChI=1S/C63H112N10O13/c1-32(2)26-43-54(76)64-41(17)47(74)30-40(16)57(79)70(22)45(28-34(5)6)59(81)71(23)46(29-35(7)8)60(82)72(24)51(38(13)14)63(85)73(25)52(53-39(15)31-48(75)86-53)56(78)66-49(36(9)10)61(83)67(19)42(18)58(80)68(20)44(27-33(3)4)55(77)65-50(37(11)12)62(84)69(43)21/h32-46,48-53,75H,26-31H2,1-25H3,(H,64,76)(H,65,77)(H,66,78)/t39-,40-,41-,42-,43-,44+,45+,46-,48?,49-,50-,51-,52-,53-/m1/s1.
What are the key properties of (3R,6R,9S,12R,15R,18R,21R,24R,27S,30R,33R)-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,15,21-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone?
(3R,6R,9S,12R,15R,18R,21R,24R,27S,30R,33R)-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,15,21-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone has a molecular weight of 1217.65 g/mol, XLogP of 3.77, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R,9S,12R,15R,18R,21R,24R,27S,30R,33R)-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,15,21-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone is sourced from PubChem (CID 157122954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).