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

C20H57O5P25 — CID 58607271

IUPAC(2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-(diphosphanyloxy)-5-(5-hydroxypent-1-en-2-yl)-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one
SMILESC=C(CCCO)[C@@H]1[C@H](C)C(=O)[C@H](OP(P(P)P)P(PP)P(P)P)C2=C(C)[C@@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)CC([C@H]1OPP)C2(C)C
InChIInChI=1S/C20H57O5P25/c1-10(7-6-8-21)15-12(3)17(22)19(25-41(43(28)29)49(40-27)45(32)33)16-11(2)14(9-13(20(16,4)5)18(15)23-39-26)24-42(48(38)44(30)31)50(46(34)35)47(36)37/h12-15,18-19,21,39-40H,1,6-9,26-38H2,2-5H3/t12-,13?,14-,15+,18+,19+,41?,42?,48?,49?/m0/s1
InChIKeyPAMDZWIZRAGVMA-BBQUUNSUSA-N
MW1152.02 g/mol
LogP17.10
Rot. Bonds19

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

(2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-(diphosphanyloxy)-5-(5-hydroxypent-1-en-2-yl)-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one (PubChem CID 58607271) has the molecular formula C20H57O5P25 and a molecular weight of 1152.02 g/mol. Its IUPAC name is (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-(diphosphanyloxy)-5-(5-hydroxypent-1-en-2-yl)-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one.

Molecular Properties

Compound Name(2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-(diphosphanyloxy)-5-(5-hydroxypent-1-en-2-yl)-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one
PubChem CID58607271
Molecular FormulaC20H57O5P25
Molecular Weight1152.02 g/mol
Exact Mass1151.76
IUPAC Name(2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-(diphosphanyloxy)-5-(5-hydroxypent-1-en-2-yl)-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one
SMILESC=C(CCCO)[C@@H]1[C@H](C)C(=O)[C@H](OP(P(P)P)P(PP)P(P)P)C2=C(C)[C@@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)CC([C@H]1OPP)C2(C)C
InChIInChI=1S/C20H57O5P25/c1-10(7-6-8-21)15-12(3)17(22)19(25-41(43(28)29)49(40-27)45(32)33)16-11(2)14(9-13(20(16,4)5)18(15)23-39-26)24-42(48(38)44(30)31)50(46(34)35)47(36)37/h12-15,18-19,21,39-40H,1,6-9,26-38H2,2-5H3/t12-,13?,14-,15+,18+,19+,41?,42?,48?,49?/m0/s1
InChIKeyPAMDZWIZRAGVMA-BBQUUNSUSA-N
XLogP17.10
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001152.02
LogP ≤ 517.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-(diphosphanyloxy)-5-(5-hydroxypent-1-en-2-yl)-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one?
The IUPAC name of (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-(diphosphanyloxy)-5-(5-hydroxypent-1-en-2-yl)-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one (CID 58607271) is (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-(diphosphanyloxy)-5-(5-hydroxypent-1-en-2-yl)-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one.
What is the SMILES notation for (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-(diphosphanyloxy)-5-(5-hydroxypent-1-en-2-yl)-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one?
The canonical SMILES for (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-(diphosphanyloxy)-5-(5-hydroxypent-1-en-2-yl)-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one is C=C(CCCO)[C@@H]1[C@H](C)C(=O)[C@H](OP(P(P)P)P(PP)P(P)P)C2=C(C)[C@@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)CC([C@H]1OPP)C2(C)C.
What is the InChIKey of (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-(diphosphanyloxy)-5-(5-hydroxypent-1-en-2-yl)-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one?
The InChIKey is PAMDZWIZRAGVMA-BBQUUNSUSA-N. The full InChI is InChI=1S/C20H57O5P25/c1-10(7-6-8-21)15-12(3)17(22)19(25-41(43(28)29)49(40-27)45(32)33)16-11(2)14(9-13(20(16,4)5)18(15)23-39-26)24-42(48(38)44(30)31)50(46(34)35)47(36)37/h12-15,18-19,21,39-40H,1,6-9,26-38H2,2-5H3/t12-,13?,14-,15+,18+,19+,41?,42?,48?,49?/m0/s1.
What are the key properties of (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-(diphosphanyloxy)-5-(5-hydroxypent-1-en-2-yl)-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one?
(2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-(diphosphanyloxy)-5-(5-hydroxypent-1-en-2-yl)-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one has a molecular weight of 1152.02 g/mol, XLogP of 17.10, 19 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S,6R,9S)-9-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-6-(diphosphanyloxy)-5-(5-hydroxypent-1-en-2-yl)-4,10,11,11-tetramethylbicyclo[5.3.1]undec-1(10)-en-3-one is sourced from PubChem (CID 58607271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).