(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

C21H71O7P39 — CID 58607255

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
SMILESC=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/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/h12-14,16-18,50H,1,6-9,29-49H2,2-5H3/t12-,13?,14+,16-,17-,18-,21+,52?,53?,54?,64?,65?,66?/m1/s1
InChIKeyQEEVDEMBSCASKY-ZNHAJXOBSA-N
MW1643.78 g/mol
LogP25.71
Rot. Bonds26

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,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 (PubChem CID 58607255) has the molecular formula C21H71O7P39 and a molecular weight of 1643.78 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.

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
PubChem CID58607255
Molecular FormulaC21H71O7P39
Molecular Weight1643.78 g/mol
Exact Mass1643.50
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
SMILESC=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/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/h12-14,16-18,50H,1,6-9,29-49H2,2-5H3/t12-,13?,14+,16-,17-,18-,21+,52?,53?,54?,64?,65?,66?/m1/s1
InChIKeyQEEVDEMBSCASKY-ZNHAJXOBSA-N
XLogP25.71
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds26
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001643.78
LogP ≤ 525.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 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?
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 (CID 58607255) 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.
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?
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 is 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?
The InChIKey is QEEVDEMBSCASKY-ZNHAJXOBSA-N. The full InChI is InChI=1S/C21H71O7P39/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/h12-14,16-18,50H,1,6-9,29-49H2,2-5H3/t12-,13?,14+,16-,17-,18-,21+,52?,53?,54?,64?,65?,66?/m1/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,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 has a molecular weight of 1643.78 g/mol, XLogP of 25.71, 26 rotatable bonds, 0 hydrogen bond donors, and 7 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 is sourced from PubChem (CID 58607255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).