[(2R,3R,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8,12,15,15-tetramethyl-4-methylidene-9-oxo-2-tricyclo[9.3.1.03,8]pentadec-11-enyl]-oxo-phosphanylphosphanium

C20H61O5P32+ — CID 59050628

IUPAC[(2R,3R,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8,12,15,15-tetramethyl-4-methylidene-9-oxo-2-tricyclo[9.3.1.03,8]pentadec-11-enyl]-oxo-phosphanylphosphanium
SMILESC=C1CC[C@H](OP(P(P)P)P(P)P)[C@@]2(C)C(=O)[C@H](OP(P(P)P)P(PP)P(P)P)C3=C(C)[C@@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)CC([C@@H]([P+](=O)P)[C@H]12)C3(C)C
InChIInChI=1S/C20H61O5P32/c1-9-6-7-13(24-45(48(28)29)49(30)31)20(5)14(9)17(44(22)27)11-8-12(23-47(55(42)51(34)35)57(53(38)39)54(40)41)10(2)15(19(11,3)4)16(18(20)21)25-46(50(32)33)56(43-26)52(36)37/h11-14,16-17,43H,1,6-8,26-42H2,2-5H3/q+1/t11?,12-,13-,14-,16+,17+,20+,46?,47?,55?,56?/m0/s1
InChIKeyRZKQCUQARQFGLN-SUPZDGPHSA-N
MW1372.87 g/mol
LogP21.44
Rot. Bonds18

About [(2R,3R,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8,12,15,15-tetramethyl-4-methylidene-9-oxo-2-tricyclo[9.3.1.03,8]pentadec-11-enyl]-oxo-phosphanylphosphanium

[(2R,3R,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8,12,15,15-tetramethyl-4-methylidene-9-oxo-2-tricyclo[9.3.1.03,8]pentadec-11-enyl]-oxo-phosphanylphosphanium (PubChem CID 59050628) has the molecular formula C20H61O5P32+ and a molecular weight of 1372.87 g/mol. Its IUPAC name is [(2R,3R,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8,12,15,15-tetramethyl-4-methylidene-9-oxo-2-tricyclo[9.3.1.03,8]pentadec-11-enyl]-oxo-phosphanylphosphanium.

Molecular Properties

Compound Name[(2R,3R,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8,12,15,15-tetramethyl-4-methylidene-9-oxo-2-tricyclo[9.3.1.03,8]pentadec-11-enyl]-oxo-phosphanylphosphanium
PubChem CID59050628
Molecular FormulaC20H61O5P32+
Molecular Weight1372.87 g/mol
Exact Mass1372.61
IUPAC Name[(2R,3R,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8,12,15,15-tetramethyl-4-methylidene-9-oxo-2-tricyclo[9.3.1.03,8]pentadec-11-enyl]-oxo-phosphanylphosphanium
SMILESC=C1CC[C@H](OP(P(P)P)P(P)P)[C@@]2(C)C(=O)[C@H](OP(P(P)P)P(PP)P(P)P)C3=C(C)[C@@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)CC([C@@H]([P+](=O)P)[C@H]12)C3(C)C
InChIInChI=1S/C20H61O5P32/c1-9-6-7-13(24-45(48(28)29)49(30)31)20(5)14(9)17(44(22)27)11-8-12(23-47(55(42)51(34)35)57(53(38)39)54(40)41)10(2)15(19(11,3)4)16(18(20)21)25-46(50(32)33)56(43-26)52(36)37/h11-14,16-17,43H,1,6-8,26-42H2,2-5H3/q+1/t11?,12-,13-,14-,16+,17+,20+,46?,47?,55?,56?/m0/s1
InChIKeyRZKQCUQARQFGLN-SUPZDGPHSA-N
XLogP21.44
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001372.87
LogP ≤ 521.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2R,3R,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8,12,15,15-tetramethyl-4-methylidene-9-oxo-2-tricyclo[9.3.1.03,8]pentadec-11-enyl]-oxo-phosphanylphosphanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8,12,15,15-tetramethyl-4-methylidene-9-oxo-2-tricyclo[9.3.1.03,8]pentadec-11-enyl]-oxo-phosphanylphosphanium?
The IUPAC name of [(2R,3R,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8,12,15,15-tetramethyl-4-methylidene-9-oxo-2-tricyclo[9.3.1.03,8]pentadec-11-enyl]-oxo-phosphanylphosphanium (CID 59050628) is [(2R,3R,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8,12,15,15-tetramethyl-4-methylidene-9-oxo-2-tricyclo[9.3.1.03,8]pentadec-11-enyl]-oxo-phosphanylphosphanium.
What is the SMILES notation for [(2R,3R,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8,12,15,15-tetramethyl-4-methylidene-9-oxo-2-tricyclo[9.3.1.03,8]pentadec-11-enyl]-oxo-phosphanylphosphanium?
The canonical SMILES for [(2R,3R,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8,12,15,15-tetramethyl-4-methylidene-9-oxo-2-tricyclo[9.3.1.03,8]pentadec-11-enyl]-oxo-phosphanylphosphanium is C=C1CC[C@H](OP(P(P)P)P(P)P)[C@@]2(C)C(=O)[C@H](OP(P(P)P)P(PP)P(P)P)C3=C(C)[C@@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)CC([C@@H]([P+](=O)P)[C@H]12)C3(C)C.
What is the InChIKey of [(2R,3R,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8,12,15,15-tetramethyl-4-methylidene-9-oxo-2-tricyclo[9.3.1.03,8]pentadec-11-enyl]-oxo-phosphanylphosphanium?
The InChIKey is RZKQCUQARQFGLN-SUPZDGPHSA-N. The full InChI is InChI=1S/C20H61O5P32/c1-9-6-7-13(24-45(48(28)29)49(30)31)20(5)14(9)17(44(22)27)11-8-12(23-47(55(42)51(34)35)57(53(38)39)54(40)41)10(2)15(19(11,3)4)16(18(20)21)25-46(50(32)33)56(43-26)52(36)37/h11-14,16-17,43H,1,6-8,26-42H2,2-5H3/q+1/t11?,12-,13-,14-,16+,17+,20+,46?,47?,55?,56?/m0/s1.
What are the key properties of [(2R,3R,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8,12,15,15-tetramethyl-4-methylidene-9-oxo-2-tricyclo[9.3.1.03,8]pentadec-11-enyl]-oxo-phosphanylphosphanium?
[(2R,3R,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8,12,15,15-tetramethyl-4-methylidene-9-oxo-2-tricyclo[9.3.1.03,8]pentadec-11-enyl]-oxo-phosphanylphosphanium has a molecular weight of 1372.87 g/mol, XLogP of 21.44, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-8,12,15,15-tetramethyl-4-methylidene-9-oxo-2-tricyclo[9.3.1.03,8]pentadec-11-enyl]-oxo-phosphanylphosphanium is sourced from PubChem (CID 59050628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).