bis([(2S,3S,4aR,8aR)-3-(dicyclohexylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-dicyclohexylphosphane);[(2S,3S,4aR,8aR)-3-(diphenylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-diphenylphosphane;dicyclohexyl-[(1R,6S,7S,8R,14S,15S)-8-dicyclohexylphosphanyl-14,15-diphenyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-1-yl]phosphane;dicyclohexyl-[(1R,5S,6S,7R,12S,13S)-7-dicyclohexylphosphanyl-12,13-diphenyl-4,10,11,14-tetraoxadispiro[4.0.46.45]tetradecan-1-yl]phosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-diphenyl-1,4-dioxan-2-yl]methyl-diphenylphosphane

C280H384O28P14 — CID 159392241

IUPACbis([(2S,3S,4aR,8aR)-3-(dicyclohexylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-dicyclohexylphosphane);[(2S,3S,4aR,8aR)-3-(diphenylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-diphenylphosphane;dicyclohexyl-[(1R,6S,7S,8R,14S,15S)-8-dicyclohexylphosphanyl-14,15-diphenyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-1-yl]phosphane;dicyclohexyl-[(1R,5S,6S,7R,12S,13S)-7-dicyclohexylphosphanyl-12,13-diphenyl-4,10,11,14-tetraoxadispiro[4.0.46.45]tetradecan-1-yl]phosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-diphenyl-1,4-dioxan-2-yl]methyl-diphenylphosphane
SMILESCO[C@@]12CCCC[C@@]1(OC)O[C@H](CP(C1CCCCC1)C1CCCCC1)[C@@H](CP(C1CCCCC1)C1CCCCC1)O2.CO[C@@]12CCCC[C@@]1(OC)O[C@H](CP(C1CCCCC1)C1CCCCC1)[C@@H](CP(C1CCCCC1)C1CCCCC1)O2.CO[C@@]12CCCC[C@@]1(OC)O[C@H](CP(c1ccccc1)c1ccccc1)[C@@H](CP(c1ccccc1)c1ccccc1)O2.CO[C@]1(C)O[C@H](CP(c2ccccc2)c2ccccc2)[C@@H](CP(c2ccccc2)c2ccccc2)O[C@@]1(C)OC.CO[C@]1(c2ccccc2)O[C@H](CP(c2ccccc2)c2ccccc2)[C@@H](CP(c2ccccc2)c2ccccc2)O[C@]1(OC)c1ccccc1.c1ccc([C@@H]2O[C@@]3(OCCC[C@H]3P(C3CCCCC3)C3CCCCC3)[C@]3(OCCC[C@H]3P(C3CCCCC3)C3CCCCC3)O[C@H]2c2ccccc2)cc1.c1ccc([C@@H]2O[C@@]3(OCC[C@H]3P(C3CCCCC3)C3CCCCC3)[C@]3(OCC[C@H]3P(C3CCCCC3)C3CCCCC3)O[C@H]2c2ccccc2)cc1
InChIInChI=1S/C48H70O4P2.C46H66O4P2.C44H42O4P2.2C36H64O4P2.C36H40O4P2.C34H38O4P2/c1-7-21-37(22-8-1)45-46(38-23-9-2-10-24-38)52-48(44(34-20-36-50-48)54(41-29-15-5-16-30-41)42-31-17-6-18-32-42)47(51-45)43(33-19-35-49-47)53(39-25-11-3-12-26-39)40-27-13-4-14-28-40;1-7-19-35(20-8-1)43-44(36-21-9-2-10-22-36)50-46(42(32-34-48-46)52(39-27-15-5-16-28-39)40-29-17-6-18-30-40)45(49-43)41(31-33-47-45)51(37-23-11-3-12-24-37)38-25-13-4-14-26-38;1-45-43(35-21-9-3-10-22-35)44(46-2,36-23-11-4-12-24-36)48-42(34-50(39-29-17-7-18-30-39)40-31-19-8-20-32-40)41(47-43)33-49(37-25-13-5-14-26-37)38-27-15-6-16-28-38;3*1-37-35-25-15-16-26-36(35,38-2)40-34(28-42(31-21-11-5-12-22-31)32-23-13-6-14-24-32)33(39-35)27-41(29-17-7-3-8-18-29)30-19-9-4-10-20-30;1-33(35-3)34(2,36-4)38-32(26-40(29-21-13-7-14-22-29)30-23-15-8-16-24-30)31(37-33)25-39(27-17-9-5-10-18-27)28-19-11-6-12-20-28/h1-2,7-10,21-24,39-46H,3-6,11-20,25-36H2;1-2,7-10,19-22,37-44H,3-6,11-18,23-34H2;3-32,41-42H,33-34H2,1-2H3;2*29-34H,3-28H2,1-2H3;3-14,17-24,33-34H,15-16,25-28H2,1-2H3;5-24,31-32H,25-26H2,1-4H3/t43-,44-,45+,46+,47-,48-;41-,42-,43+,44+,45-,46-;41-,42-,43-,44-;3*33-,34-,35-,36-;31-,32-,33-,34-/m1111111/s1
InChIKeyLMGOIKHSORPSAY-HHWPKBEKSA-N
MW4631.76 g/mol
LogP67.08
Rot. Bonds68

About bis([(2S,3S,4aR,8aR)-3-(dicyclohexylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-dicyclohexylphosphane);[(2S,3S,4aR,8aR)-3-(diphenylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-diphenylphosphane;dicyclohexyl-[(1R,6S,7S,8R,14S,15S)-8-dicyclohexylphosphanyl-14,15-diphenyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-1-yl]phosphane;dicyclohexyl-[(1R,5S,6S,7R,12S,13S)-7-dicyclohexylphosphanyl-12,13-diphenyl-4,10,11,14-tetraoxadispiro[4.0.46.45]tetradecan-1-yl]phosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-diphenyl-1,4-dioxan-2-yl]methyl-diphenylphosphane

bis([(2S,3S,4aR,8aR)-3-(dicyclohexylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-dicyclohexylphosphane);[(2S,3S,4aR,8aR)-3-(diphenylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-diphenylphosphane;dicyclohexyl-[(1R,6S,7S,8R,14S,15S)-8-dicyclohexylphosphanyl-14,15-diphenyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-1-yl]phosphane;dicyclohexyl-[(1R,5S,6S,7R,12S,13S)-7-dicyclohexylphosphanyl-12,13-diphenyl-4,10,11,14-tetraoxadispiro[4.0.46.45]tetradecan-1-yl]phosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-diphenyl-1,4-dioxan-2-yl]methyl-diphenylphosphane (PubChem CID 159392241) has the molecular formula C280H384O28P14 and a molecular weight of 4631.76 g/mol. Its IUPAC name is bis([(2S,3S,4aR,8aR)-3-(dicyclohexylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-dicyclohexylphosphane);[(2S,3S,4aR,8aR)-3-(diphenylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-diphenylphosphane;dicyclohexyl-[(1R,6S,7S,8R,14S,15S)-8-dicyclohexylphosphanyl-14,15-diphenyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-1-yl]phosphane;dicyclohexyl-[(1R,5S,6S,7R,12S,13S)-7-dicyclohexylphosphanyl-12,13-diphenyl-4,10,11,14-tetraoxadispiro[4.0.46.45]tetradecan-1-yl]phosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-diphenyl-1,4-dioxan-2-yl]methyl-diphenylphosphane.

Molecular Properties

Compound Namebis([(2S,3S,4aR,8aR)-3-(dicyclohexylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-dicyclohexylphosphane);[(2S,3S,4aR,8aR)-3-(diphenylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-diphenylphosphane;dicyclohexyl-[(1R,6S,7S,8R,14S,15S)-8-dicyclohexylphosphanyl-14,15-diphenyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-1-yl]phosphane;dicyclohexyl-[(1R,5S,6S,7R,12S,13S)-7-dicyclohexylphosphanyl-12,13-diphenyl-4,10,11,14-tetraoxadispiro[4.0.46.45]tetradecan-1-yl]phosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-diphenyl-1,4-dioxan-2-yl]methyl-diphenylphosphane
PubChem CID159392241
Molecular FormulaC280H384O28P14
Molecular Weight4631.76 g/mol
Exact Mass4628.50
IUPAC Namebis([(2S,3S,4aR,8aR)-3-(dicyclohexylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-dicyclohexylphosphane);[(2S,3S,4aR,8aR)-3-(diphenylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-diphenylphosphane;dicyclohexyl-[(1R,6S,7S,8R,14S,15S)-8-dicyclohexylphosphanyl-14,15-diphenyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-1-yl]phosphane;dicyclohexyl-[(1R,5S,6S,7R,12S,13S)-7-dicyclohexylphosphanyl-12,13-diphenyl-4,10,11,14-tetraoxadispiro[4.0.46.45]tetradecan-1-yl]phosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-diphenyl-1,4-dioxan-2-yl]methyl-diphenylphosphane
SMILESCO[C@@]12CCCC[C@@]1(OC)O[C@H](CP(C1CCCCC1)C1CCCCC1)[C@@H](CP(C1CCCCC1)C1CCCCC1)O2.CO[C@@]12CCCC[C@@]1(OC)O[C@H](CP(C1CCCCC1)C1CCCCC1)[C@@H](CP(C1CCCCC1)C1CCCCC1)O2.CO[C@@]12CCCC[C@@]1(OC)O[C@H](CP(c1ccccc1)c1ccccc1)[C@@H](CP(c1ccccc1)c1ccccc1)O2.CO[C@]1(C)O[C@H](CP(c2ccccc2)c2ccccc2)[C@@H](CP(c2ccccc2)c2ccccc2)O[C@@]1(C)OC.CO[C@]1(c2ccccc2)O[C@H](CP(c2ccccc2)c2ccccc2)[C@@H](CP(c2ccccc2)c2ccccc2)O[C@]1(OC)c1ccccc1.c1ccc([C@@H]2O[C@@]3(OCCC[C@H]3P(C3CCCCC3)C3CCCCC3)[C@]3(OCCC[C@H]3P(C3CCCCC3)C3CCCCC3)O[C@H]2c2ccccc2)cc1.c1ccc([C@@H]2O[C@@]3(OCC[C@H]3P(C3CCCCC3)C3CCCCC3)[C@]3(OCC[C@H]3P(C3CCCCC3)C3CCCCC3)O[C@H]2c2ccccc2)cc1
InChIInChI=1S/C48H70O4P2.C46H66O4P2.C44H42O4P2.2C36H64O4P2.C36H40O4P2.C34H38O4P2/c1-7-21-37(22-8-1)45-46(38-23-9-2-10-24-38)52-48(44(34-20-36-50-48)54(41-29-15-5-16-30-41)42-31-17-6-18-32-42)47(51-45)43(33-19-35-49-47)53(39-25-11-3-12-26-39)40-27-13-4-14-28-40;1-7-19-35(20-8-1)43-44(36-21-9-2-10-22-36)50-46(42(32-34-48-46)52(39-27-15-5-16-28-39)40-29-17-6-18-30-40)45(49-43)41(31-33-47-45)51(37-23-11-3-12-24-37)38-25-13-4-14-26-38;1-45-43(35-21-9-3-10-22-35)44(46-2,36-23-11-4-12-24-36)48-42(34-50(39-29-17-7-18-30-39)40-31-19-8-20-32-40)41(47-43)33-49(37-25-13-5-14-26-37)38-27-15-6-16-28-38;3*1-37-35-25-15-16-26-36(35,38-2)40-34(28-42(31-21-11-5-12-22-31)32-23-13-6-14-24-32)33(39-35)27-41(29-17-7-3-8-18-29)30-19-9-4-10-20-30;1-33(35-3)34(2,36-4)38-32(26-40(29-21-13-7-14-22-29)30-23-15-8-16-24-30)31(37-33)25-39(27-17-9-5-10-18-27)28-19-11-6-12-20-28/h1-2,7-10,21-24,39-46H,3-6,11-20,25-36H2;1-2,7-10,19-22,37-44H,3-6,11-18,23-34H2;3-32,41-42H,33-34H2,1-2H3;2*29-34H,3-28H2,1-2H3;3-14,17-24,33-34H,15-16,25-28H2,1-2H3;5-24,31-32H,25-26H2,1-4H3/t43-,44-,45+,46+,47-,48-;41-,42-,43+,44+,45-,46-;41-,42-,43-,44-;3*33-,34-,35-,36-;31-,32-,33-,34-/m1111111/s1
InChIKeyLMGOIKHSORPSAY-HHWPKBEKSA-N
XLogP67.08
TPSA258.44 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds68
Heavy Atoms322
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004631.76
LogP ≤ 567.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze bis([(2S,3S,4aR,8aR)-3-(dicyclohexylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-dicyclohexylphosphane);[(2S,3S,4aR,8aR)-3-(diphenylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-diphenylphosphane;dicyclohexyl-[(1R,6S,7S,8R,14S,15S)-8-dicyclohexylphosphanyl-14,15-diphenyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-1-yl]phosphane;dicyclohexyl-[(1R,5S,6S,7R,12S,13S)-7-dicyclohexylphosphanyl-12,13-diphenyl-4,10,11,14-tetraoxadispiro[4.0.46.45]tetradecan-1-yl]phosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-diphenyl-1,4-dioxan-2-yl]methyl-diphenylphosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis([(2S,3S,4aR,8aR)-3-(dicyclohexylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-dicyclohexylphosphane);[(2S,3S,4aR,8aR)-3-(diphenylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-diphenylphosphane;dicyclohexyl-[(1R,6S,7S,8R,14S,15S)-8-dicyclohexylphosphanyl-14,15-diphenyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-1-yl]phosphane;dicyclohexyl-[(1R,5S,6S,7R,12S,13S)-7-dicyclohexylphosphanyl-12,13-diphenyl-4,10,11,14-tetraoxadispiro[4.0.46.45]tetradecan-1-yl]phosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-diphenyl-1,4-dioxan-2-yl]methyl-diphenylphosphane?
The IUPAC name of bis([(2S,3S,4aR,8aR)-3-(dicyclohexylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-dicyclohexylphosphane);[(2S,3S,4aR,8aR)-3-(diphenylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-diphenylphosphane;dicyclohexyl-[(1R,6S,7S,8R,14S,15S)-8-dicyclohexylphosphanyl-14,15-diphenyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-1-yl]phosphane;dicyclohexyl-[(1R,5S,6S,7R,12S,13S)-7-dicyclohexylphosphanyl-12,13-diphenyl-4,10,11,14-tetraoxadispiro[4.0.46.45]tetradecan-1-yl]phosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-diphenyl-1,4-dioxan-2-yl]methyl-diphenylphosphane (CID 159392241) is bis([(2S,3S,4aR,8aR)-3-(dicyclohexylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-dicyclohexylphosphane);[(2S,3S,4aR,8aR)-3-(diphenylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-diphenylphosphane;dicyclohexyl-[(1R,6S,7S,8R,14S,15S)-8-dicyclohexylphosphanyl-14,15-diphenyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-1-yl]phosphane;dicyclohexyl-[(1R,5S,6S,7R,12S,13S)-7-dicyclohexylphosphanyl-12,13-diphenyl-4,10,11,14-tetraoxadispiro[4.0.46.45]tetradecan-1-yl]phosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-diphenyl-1,4-dioxan-2-yl]methyl-diphenylphosphane.
What is the SMILES notation for bis([(2S,3S,4aR,8aR)-3-(dicyclohexylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-dicyclohexylphosphane);[(2S,3S,4aR,8aR)-3-(diphenylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-diphenylphosphane;dicyclohexyl-[(1R,6S,7S,8R,14S,15S)-8-dicyclohexylphosphanyl-14,15-diphenyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-1-yl]phosphane;dicyclohexyl-[(1R,5S,6S,7R,12S,13S)-7-dicyclohexylphosphanyl-12,13-diphenyl-4,10,11,14-tetraoxadispiro[4.0.46.45]tetradecan-1-yl]phosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-diphenyl-1,4-dioxan-2-yl]methyl-diphenylphosphane?
The canonical SMILES for bis([(2S,3S,4aR,8aR)-3-(dicyclohexylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-dicyclohexylphosphane);[(2S,3S,4aR,8aR)-3-(diphenylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-diphenylphosphane;dicyclohexyl-[(1R,6S,7S,8R,14S,15S)-8-dicyclohexylphosphanyl-14,15-diphenyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-1-yl]phosphane;dicyclohexyl-[(1R,5S,6S,7R,12S,13S)-7-dicyclohexylphosphanyl-12,13-diphenyl-4,10,11,14-tetraoxadispiro[4.0.46.45]tetradecan-1-yl]phosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-diphenyl-1,4-dioxan-2-yl]methyl-diphenylphosphane is CO[C@@]12CCCC[C@@]1(OC)O[C@H](CP(C1CCCCC1)C1CCCCC1)[C@@H](CP(C1CCCCC1)C1CCCCC1)O2.CO[C@@]12CCCC[C@@]1(OC)O[C@H](CP(C1CCCCC1)C1CCCCC1)[C@@H](CP(C1CCCCC1)C1CCCCC1)O2.CO[C@@]12CCCC[C@@]1(OC)O[C@H](CP(c1ccccc1)c1ccccc1)[C@@H](CP(c1ccccc1)c1ccccc1)O2.CO[C@]1(C)O[C@H](CP(c2ccccc2)c2ccccc2)[C@@H](CP(c2ccccc2)c2ccccc2)O[C@@]1(C)OC.CO[C@]1(c2ccccc2)O[C@H](CP(c2ccccc2)c2ccccc2)[C@@H](CP(c2ccccc2)c2ccccc2)O[C@]1(OC)c1ccccc1.c1ccc([C@@H]2O[C@@]3(OCCC[C@H]3P(C3CCCCC3)C3CCCCC3)[C@]3(OCCC[C@H]3P(C3CCCCC3)C3CCCCC3)O[C@H]2c2ccccc2)cc1.c1ccc([C@@H]2O[C@@]3(OCC[C@H]3P(C3CCCCC3)C3CCCCC3)[C@]3(OCC[C@H]3P(C3CCCCC3)C3CCCCC3)O[C@H]2c2ccccc2)cc1.
What is the InChIKey of bis([(2S,3S,4aR,8aR)-3-(dicyclohexylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-dicyclohexylphosphane);[(2S,3S,4aR,8aR)-3-(diphenylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-diphenylphosphane;dicyclohexyl-[(1R,6S,7S,8R,14S,15S)-8-dicyclohexylphosphanyl-14,15-diphenyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-1-yl]phosphane;dicyclohexyl-[(1R,5S,6S,7R,12S,13S)-7-dicyclohexylphosphanyl-12,13-diphenyl-4,10,11,14-tetraoxadispiro[4.0.46.45]tetradecan-1-yl]phosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-diphenyl-1,4-dioxan-2-yl]methyl-diphenylphosphane?
The InChIKey is LMGOIKHSORPSAY-HHWPKBEKSA-N. The full InChI is InChI=1S/C48H70O4P2.C46H66O4P2.C44H42O4P2.2C36H64O4P2.C36H40O4P2.C34H38O4P2/c1-7-21-37(22-8-1)45-46(38-23-9-2-10-24-38)52-48(44(34-20-36-50-48)54(41-29-15-5-16-30-41)42-31-17-6-18-32-42)47(51-45)43(33-19-35-49-47)53(39-25-11-3-12-26-39)40-27-13-4-14-28-40;1-7-19-35(20-8-1)43-44(36-21-9-2-10-22-36)50-46(42(32-34-48-46)52(39-27-15-5-16-28-39)40-29-17-6-18-30-40)45(49-43)41(31-33-47-45)51(37-23-11-3-12-24-37)38-25-13-4-14-26-38;1-45-43(35-21-9-3-10-22-35)44(46-2,36-23-11-4-12-24-36)48-42(34-50(39-29-17-7-18-30-39)40-31-19-8-20-32-40)41(47-43)33-49(37-25-13-5-14-26-37)38-27-15-6-16-28-38;3*1-37-35-25-15-16-26-36(35,38-2)40-34(28-42(31-21-11-5-12-22-31)32-23-13-6-14-24-32)33(39-35)27-41(29-17-7-3-8-18-29)30-19-9-4-10-20-30;1-33(35-3)34(2,36-4)38-32(26-40(29-21-13-7-14-22-29)30-23-15-8-16-24-30)31(37-33)25-39(27-17-9-5-10-18-27)28-19-11-6-12-20-28/h1-2,7-10,21-24,39-46H,3-6,11-20,25-36H2;1-2,7-10,19-22,37-44H,3-6,11-18,23-34H2;3-32,41-42H,33-34H2,1-2H3;2*29-34H,3-28H2,1-2H3;3-14,17-24,33-34H,15-16,25-28H2,1-2H3;5-24,31-32H,25-26H2,1-4H3/t43-,44-,45+,46+,47-,48-;41-,42-,43+,44+,45-,46-;41-,42-,43-,44-;3*33-,34-,35-,36-;31-,32-,33-,34-/m1111111/s1.
What are the key properties of bis([(2S,3S,4aR,8aR)-3-(dicyclohexylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-dicyclohexylphosphane);[(2S,3S,4aR,8aR)-3-(diphenylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-diphenylphosphane;dicyclohexyl-[(1R,6S,7S,8R,14S,15S)-8-dicyclohexylphosphanyl-14,15-diphenyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-1-yl]phosphane;dicyclohexyl-[(1R,5S,6S,7R,12S,13S)-7-dicyclohexylphosphanyl-12,13-diphenyl-4,10,11,14-tetraoxadispiro[4.0.46.45]tetradecan-1-yl]phosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-diphenyl-1,4-dioxan-2-yl]methyl-diphenylphosphane?
bis([(2S,3S,4aR,8aR)-3-(dicyclohexylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-dicyclohexylphosphane);[(2S,3S,4aR,8aR)-3-(diphenylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-diphenylphosphane;dicyclohexyl-[(1R,6S,7S,8R,14S,15S)-8-dicyclohexylphosphanyl-14,15-diphenyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-1-yl]phosphane;dicyclohexyl-[(1R,5S,6S,7R,12S,13S)-7-dicyclohexylphosphanyl-12,13-diphenyl-4,10,11,14-tetraoxadispiro[4.0.46.45]tetradecan-1-yl]phosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-diphenyl-1,4-dioxan-2-yl]methyl-diphenylphosphane has a molecular weight of 4631.76 g/mol, XLogP of 67.08, 68 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for bis([(2S,3S,4aR,8aR)-3-(dicyclohexylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-dicyclohexylphosphane);[(2S,3S,4aR,8aR)-3-(diphenylphosphanylmethyl)-4a,8a-dimethoxy-2,3,5,6,7,8-hexahydrobenzo[b][1,4]dioxin-2-yl]methyl-diphenylphosphane;dicyclohexyl-[(1R,6S,7S,8R,14S,15S)-8-dicyclohexylphosphanyl-14,15-diphenyl-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecan-1-yl]phosphane;dicyclohexyl-[(1R,5S,6S,7R,12S,13S)-7-dicyclohexylphosphanyl-12,13-diphenyl-4,10,11,14-tetraoxadispiro[4.0.46.45]tetradecan-1-yl]phosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxan-2-yl]methyl-diphenylphosphane;[(2S,3S,5R,6R)-3-(diphenylphosphanylmethyl)-5,6-dimethoxy-5,6-diphenyl-1,4-dioxan-2-yl]methyl-diphenylphosphane is sourced from PubChem (CID 159392241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).