(4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1-en-3-one

C20H62O5P30 — CID 90916107

IUPAC(4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1-en-3-one
SMILESC=C(CCCOP(P(P)P)P(P)P)[C@@H]1[C@H](C)C(=O)C(OP(P(P)P)P(PP)P(P)P)=C2C(C)[C@@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)CC([C@H]1O)C2(C)C
InChIInChI=1S/C20H62O5P30/c1-10(7-6-8-23-43(46(27)28)47(29)30)15-12(3)17(21)19(25-44(48(31)32)54(42-26)50(35)36)16-11(2)14(9-13(18(15)22)20(16,4)5)24-45(53(41)49(33)34)55(51(37)38)52(39)40/h11-15,18,22,42H,1,6-9,26-41H2,2-5H3/t11?,12-,13?,14-,15+,18+,44?,45?,53?,54?/m0/s1
InChIKeySCGIMESHDMSLCO-ZNPAFILOSA-N
MW1311.93 g/mol
LogP20.27
Rot. Bonds21

About (4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1-en-3-one

(4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1-en-3-one (PubChem CID 90916107) has the molecular formula C20H62O5P30 and a molecular weight of 1311.93 g/mol. Its IUPAC name is (4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1-en-3-one.

Molecular Properties

Compound Name(4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1-en-3-one
PubChem CID90916107
Molecular FormulaC20H62O5P30
Molecular Weight1311.93 g/mol
Exact Mass1311.67
IUPAC Name(4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1-en-3-one
SMILESC=C(CCCOP(P(P)P)P(P)P)[C@@H]1[C@H](C)C(=O)C(OP(P(P)P)P(PP)P(P)P)=C2C(C)[C@@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)CC([C@H]1O)C2(C)C
InChIInChI=1S/C20H62O5P30/c1-10(7-6-8-23-43(46(27)28)47(29)30)15-12(3)17(21)19(25-44(48(31)32)54(42-26)50(35)36)16-11(2)14(9-13(18(15)22)20(16,4)5)24-45(53(41)49(33)34)55(51(37)38)52(39)40/h11-15,18,22,42H,1,6-9,26-41H2,2-5H3/t11?,12-,13?,14-,15+,18+,44?,45?,53?,54?/m0/s1
InChIKeySCGIMESHDMSLCO-ZNPAFILOSA-N
XLogP20.27
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001311.93
LogP ≤ 520.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1-en-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1-en-3-one?
The IUPAC name of (4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1-en-3-one (CID 90916107) is (4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1-en-3-one.
What is the SMILES notation for (4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1-en-3-one?
The canonical SMILES for (4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1-en-3-one is C=C(CCCOP(P(P)P)P(P)P)[C@@H]1[C@H](C)C(=O)C(OP(P(P)P)P(PP)P(P)P)=C2C(C)[C@@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)CC([C@H]1O)C2(C)C.
What is the InChIKey of (4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1-en-3-one?
The InChIKey is SCGIMESHDMSLCO-ZNPAFILOSA-N. The full InChI is InChI=1S/C20H62O5P30/c1-10(7-6-8-23-43(46(27)28)47(29)30)15-12(3)17(21)19(25-44(48(31)32)54(42-26)50(35)36)16-11(2)14(9-13(18(15)22)20(16,4)5)24-45(53(41)49(33)34)55(51(37)38)52(39)40/h11-15,18,22,42H,1,6-9,26-41H2,2-5H3/t11?,12-,13?,14-,15+,18+,44?,45?,53?,54?/m0/s1.
What are the key properties of (4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1-en-3-one?
(4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1-en-3-one has a molecular weight of 1311.93 g/mol, XLogP of 20.27, 21 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-hydroxy-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1-en-3-one is sourced from PubChem (CID 90916107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).