(2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one;(2R,3R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-3-hex-1-en-2-yl-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-ene-2,3-diol;(2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-(5-hydroxypent-1-en-2-yl)-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one

C63H203O19P103 — CID 91188248

IUPAC(2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one;(2R,3R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-3-hex-1-en-2-yl-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-ene-2,3-diol;(2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-(5-hydroxypent-1-en-2-yl)-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one
SMILESC=C(CCCC)[C@@]1(O)[C@H](O)C2C[C@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=C([C@@H](OP(P(P)P)P(PP)P(P)P)[C@H](OP(P(P)P)P(P)P(P)P)[C@H]1C)C2(C)C.C=C(CCCO)[C@@]12OC(=O)O[C@@H]1C1C[C@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=C([C@@H](OP(P(P)P)P(PP)P(P)P)[C@H](OP(P(P)P)P(P)P(P)P)[C@H]2C)C1(C)C.C=C(CCCOP(P(P)P)P(P)P)[C@@]12OC(=O)O[C@@H]1C1C[C@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=C([C@@H](OP(P(P)P)P(PP)P(P)P)[C@H](OP(P(P)P)P(P)P(P)P)[C@H]2C)C1(C)C
InChIInChI=1S/C21H71O7P39.C21H64O7P32.C21H68O5P32/c1-10(7-6-8-23-51(55(30)31)56(32)33)21-12(3)16(27-52(57(34)35)64(48)59(38)39)17(28-53(58(36)37)66(50-29)61(42)43)15-11(2)14(9-13(20(15,4)5)18(21)24-19(22)25-21)26-54(65(49)60(40)41)67(62(44)45)63(46)47;1-10(7-6-8-22)21-12(3)16(27-47(50(30)31)57(44)52(34)35)17(28-48(51(32)33)59(46-29)54(38)39)15-11(2)14(9-13(20(15,4)5)18(21)24-19(23)25-21)26-49(58(45)53(36)37)60(55(40)41)56(42)43;1-7-8-9-11(2)21(23)13(4)17(25-45(48(28)29)55(42)50(32)33)18(26-46(49(30)31)57(44-27)52(36)37)16-12(3)15(10-14(19(21)22)20(16,5)6)24-47(56(43)51(34)35)58(53(38)39)54(40)41/h12-14,16-18,50H,1,6-9,29-49H2,2-5H3;12-14,16-18,22,46H,1,6-9,29-45H2,2-5H3;13-15,17-19,22-23,44H,2,7-10,27-43H2,1,3-6H3/t12-,13?,14+,16-,17-,18-,21+,52?,53?,54?,64?,65?,66?;12-,13?,14+,16-,17-,18-,21+,47?,48?,49?,57?,58?,59?;13-,14?,15+,17-,18-,19-,21+,45?,46?,47?,55?,56?,57?/m111/s1
InChIKeyIIMPHXNJSYXVMO-RJNVDVTJSA-N
MW4455.62 g/mol
LogP68.63
Rot. Bonds70

About (2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one;(2R,3R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-3-hex-1-en-2-yl-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-ene-2,3-diol;(2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-(5-hydroxypent-1-en-2-yl)-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one

(2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one;(2R,3R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-3-hex-1-en-2-yl-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-ene-2,3-diol;(2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-(5-hydroxypent-1-en-2-yl)-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one (PubChem CID 91188248) has the molecular formula C63H203O19P103 and a molecular weight of 4455.62 g/mol. Its IUPAC name is (2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one;(2R,3R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-3-hex-1-en-2-yl-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-ene-2,3-diol;(2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-(5-hydroxypent-1-en-2-yl)-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one.

Molecular Properties

Compound Name(2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one;(2R,3R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-3-hex-1-en-2-yl-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-ene-2,3-diol;(2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-(5-hydroxypent-1-en-2-yl)-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one
PubChem CID91188248
Molecular FormulaC63H203O19P103
Molecular Weight4455.62 g/mol
Exact Mass4454.79
IUPAC Name(2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one;(2R,3R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-3-hex-1-en-2-yl-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-ene-2,3-diol;(2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-(5-hydroxypent-1-en-2-yl)-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one
SMILESC=C(CCCC)[C@@]1(O)[C@H](O)C2C[C@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=C([C@@H](OP(P(P)P)P(PP)P(P)P)[C@H](OP(P(P)P)P(P)P(P)P)[C@H]1C)C2(C)C.C=C(CCCO)[C@@]12OC(=O)O[C@@H]1C1C[C@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=C([C@@H](OP(P(P)P)P(PP)P(P)P)[C@H](OP(P(P)P)P(P)P(P)P)[C@H]2C)C1(C)C.C=C(CCCOP(P(P)P)P(P)P)[C@@]12OC(=O)O[C@@H]1C1C[C@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=C([C@@H](OP(P(P)P)P(PP)P(P)P)[C@H](OP(P(P)P)P(P)P(P)P)[C@H]2C)C1(C)C
InChIInChI=1S/C21H71O7P39.C21H64O7P32.C21H68O5P32/c1-10(7-6-8-23-51(55(30)31)56(32)33)21-12(3)16(27-52(57(34)35)64(48)59(38)39)17(28-53(58(36)37)66(50-29)61(42)43)15-11(2)14(9-13(20(15,4)5)18(21)24-19(22)25-21)26-54(65(49)60(40)41)67(62(44)45)63(46)47;1-10(7-6-8-22)21-12(3)16(27-47(50(30)31)57(44)52(34)35)17(28-48(51(32)33)59(46-29)54(38)39)15-11(2)14(9-13(20(15,4)5)18(21)24-19(23)25-21)26-49(58(45)53(36)37)60(55(40)41)56(42)43;1-7-8-9-11(2)21(23)13(4)17(25-45(48(28)29)55(42)50(32)33)18(26-46(49(30)31)57(44-27)52(36)37)16-12(3)15(10-14(19(21)22)20(16,5)6)24-47(56(43)51(34)35)58(53(38)39)54(40)41/h12-14,16-18,50H,1,6-9,29-49H2,2-5H3;12-14,16-18,22,46H,1,6-9,29-45H2,2-5H3;13-15,17-19,22-23,44H,2,7-10,27-43H2,1,3-6H3/t12-,13?,14+,16-,17-,18-,21+,52?,53?,54?,64?,65?,66?;12-,13?,14+,16-,17-,18-,21+,47?,48?,49?,57?,58?,59?;13-,14?,15+,17-,18-,19-,21+,45?,46?,47?,55?,56?,57?/m111/s1
InChIKeyIIMPHXNJSYXVMO-RJNVDVTJSA-N
XLogP68.63
TPSA224.05 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds70
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004455.62
LogP ≤ 568.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one;(2R,3R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-3-hex-1-en-2-yl-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-ene-2,3-diol;(2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-(5-hydroxypent-1-en-2-yl)-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one;(2R,3R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-3-hex-1-en-2-yl-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-ene-2,3-diol;(2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-(5-hydroxypent-1-en-2-yl)-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one?
The IUPAC name of (2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one;(2R,3R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-3-hex-1-en-2-yl-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-ene-2,3-diol;(2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-(5-hydroxypent-1-en-2-yl)-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one (CID 91188248) is (2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one;(2R,3R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-3-hex-1-en-2-yl-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-ene-2,3-diol;(2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-(5-hydroxypent-1-en-2-yl)-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one.
What is the SMILES notation for (2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one;(2R,3R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-3-hex-1-en-2-yl-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-ene-2,3-diol;(2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-(5-hydroxypent-1-en-2-yl)-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one?
The canonical SMILES for (2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one;(2R,3R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-3-hex-1-en-2-yl-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-ene-2,3-diol;(2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-(5-hydroxypent-1-en-2-yl)-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one is C=C(CCCC)[C@@]1(O)[C@H](O)C2C[C@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=C([C@@H](OP(P(P)P)P(PP)P(P)P)[C@H](OP(P(P)P)P(P)P(P)P)[C@H]1C)C2(C)C.C=C(CCCO)[C@@]12OC(=O)O[C@@H]1C1C[C@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=C([C@@H](OP(P(P)P)P(PP)P(P)P)[C@H](OP(P(P)P)P(P)P(P)P)[C@H]2C)C1(C)C.C=C(CCCOP(P(P)P)P(P)P)[C@@]12OC(=O)O[C@@H]1C1C[C@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=C([C@@H](OP(P(P)P)P(PP)P(P)P)[C@H](OP(P(P)P)P(P)P(P)P)[C@H]2C)C1(C)C.
What is the InChIKey of (2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one;(2R,3R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-3-hex-1-en-2-yl-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-ene-2,3-diol;(2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-(5-hydroxypent-1-en-2-yl)-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one?
The InChIKey is IIMPHXNJSYXVMO-RJNVDVTJSA-N. The full InChI is InChI=1S/C21H71O7P39.C21H64O7P32.C21H68O5P32/c1-10(7-6-8-23-51(55(30)31)56(32)33)21-12(3)16(27-52(57(34)35)64(48)59(38)39)17(28-53(58(36)37)66(50-29)61(42)43)15-11(2)14(9-13(20(15,4)5)18(21)24-19(22)25-21)26-54(65(49)60(40)41)67(62(44)45)63(46)47;1-10(7-6-8-22)21-12(3)16(27-47(50(30)31)57(44)52(34)35)17(28-48(51(32)33)59(46-29)54(38)39)15-11(2)14(9-13(20(15,4)5)18(21)24-19(23)25-21)26-49(58(45)53(36)37)60(55(40)41)56(42)43;1-7-8-9-11(2)21(23)13(4)17(25-45(48(28)29)55(42)50(32)33)18(26-46(49(30)31)57(44-27)52(36)37)16-12(3)15(10-14(19(21)22)20(16,5)6)24-47(56(43)51(34)35)58(53(38)39)54(40)41/h12-14,16-18,50H,1,6-9,29-49H2,2-5H3;12-14,16-18,22,46H,1,6-9,29-45H2,2-5H3;13-15,17-19,22-23,44H,2,7-10,27-43H2,1,3-6H3/t12-,13?,14+,16-,17-,18-,21+,52?,53?,54?,64?,65?,66?;12-,13?,14+,16-,17-,18-,21+,47?,48?,49?,57?,58?,59?;13-,14?,15+,17-,18-,19-,21+,45?,46?,47?,55?,56?,57?/m111/s1.
What are the key properties of (2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one;(2R,3R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-3-hex-1-en-2-yl-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-ene-2,3-diol;(2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-(5-hydroxypent-1-en-2-yl)-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one?
(2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one;(2R,3R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-3-hex-1-en-2-yl-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-ene-2,3-diol;(2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-(5-hydroxypent-1-en-2-yl)-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one has a molecular weight of 4455.62 g/mol, XLogP of 68.63, 70 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one;(2R,3R,4R,5R,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-5-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-3-hex-1-en-2-yl-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-ene-2,3-diol;(2R,6R,7R,8R,9R,12S)-12-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-9-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-6-(5-hydroxypent-1-en-2-yl)-7,11,14,14-tetramethyl-3,5-dioxatricyclo[8.3.1.02,6]tetradec-10-en-4-one is sourced from PubChem (CID 91188248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).