bis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide;octanoic acid;tris[bis(phosphanyl)phosphanyl]phosphane

C25H69INO4P19 — CID 123334311

IUPACbis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide;octanoic acid;tris[bis(phosphanyl)phosphanyl]phosphane
SMILESCC/C=C(\C)[C@@H](NC(=O)CCCCCCO)[C@@H](C)/C=C/I.CCCCCCCC(=O)O.PP(P)P(P(P)P)P(P)P.PPP(P(P)P)P(P)P
InChIInChI=1S/C17H30INO2.C8H16O2.H12P10.H11P9/c1-4-9-14(2)17(15(3)11-12-18)19-16(21)10-7-5-6-8-13-20;1-2-3-4-5-6-7-8(9)10;1-7(2)10(8(3)4)9(5)6;1-6-9(7(2)3)8(4)5/h9,11-12,15,17,20H,4-8,10,13H2,1-3H3,(H,19,21);2-7H2,1H3,(H,9,10);1-6H2;6H,1-5H2/b12-11+,14-9+;;;/t15-,17+;;;/m0.../s1
InChIKeyBULCAUHVAVRZGO-VTJQPGRWSA-N
MW1163.24 g/mol
LogP16.99
Rot. Bonds23

About bis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide;octanoic acid;tris[bis(phosphanyl)phosphanyl]phosphane

bis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide;octanoic acid;tris[bis(phosphanyl)phosphanyl]phosphane (PubChem CID 123334311) has the molecular formula C25H69INO4P19 and a molecular weight of 1163.24 g/mol. Its IUPAC name is bis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide;octanoic acid;tris[bis(phosphanyl)phosphanyl]phosphane.

Molecular Properties

Compound Namebis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide;octanoic acid;tris[bis(phosphanyl)phosphanyl]phosphane
PubChem CID123334311
Molecular FormulaC25H69INO4P19
Molecular Weight1163.24 g/mol
Exact Mass1162.93
IUPAC Namebis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide;octanoic acid;tris[bis(phosphanyl)phosphanyl]phosphane
SMILESCC/C=C(\C)[C@@H](NC(=O)CCCCCCO)[C@@H](C)/C=C/I.CCCCCCCC(=O)O.PP(P)P(P(P)P)P(P)P.PPP(P(P)P)P(P)P
InChIInChI=1S/C17H30INO2.C8H16O2.H12P10.H11P9/c1-4-9-14(2)17(15(3)11-12-18)19-16(21)10-7-5-6-8-13-20;1-2-3-4-5-6-7-8(9)10;1-7(2)10(8(3)4)9(5)6;1-6-9(7(2)3)8(4)5/h9,11-12,15,17,20H,4-8,10,13H2,1-3H3,(H,19,21);2-7H2,1H3,(H,9,10);1-6H2;6H,1-5H2/b12-11+,14-9+;;;/t15-,17+;;;/m0.../s1
InChIKeyBULCAUHVAVRZGO-VTJQPGRWSA-N
XLogP16.99
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001163.24
LogP ≤ 516.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide
CID 58297751
7-hydroxy-N-[(1E,3S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide
CID 59865185
bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[(2S,3S,4E)-2-[(E)-4-hydroxybut-2-en-2-yl]-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;[(2S,3S,4E)-3-methyl-12-oxo-2-[(E)-pent-2-en-2-yl]-1-azacyclododec-4-en-6-yl] acetate
CID 123254151
bis[bis(phosphanyl)phosphanyl]-[diphosphanyl(phosphanyl)phosphanyl]phosphane;7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide;[(2S,3S,4E)-3-methyl-12-oxo-2-[(E)-pent-2-en-2-yl]-1-azacyclododec-4-en-6-yl] acetate;tris[bis(phosphanyl)phosphanyl]phosphane
CID 123924002
bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[diphosphanyl(phosphanyl)phosphanyl]phosphane;7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]-N-methylheptanamide
CID 124036261
bis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;bis(phosphanyl)phosphanyl-(diphosphanyl)-phosphanylphosphane;tert-butyl N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]carbamate;7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide;octanoic acid;tris[bis(phosphanyl)phosphanyl]phosphane
CID 159068561
Bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;[2-(4-hydroxybut-2-en-2-yl)-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(3-methyl-12-oxo-2-pent-2-en-2-yl-1-azacyclododec-4-en-6-yl) acetate
CID 139291185
2-(18-Hydroxyoctadec-9-enoylamino)-4-methylpentanoic acid
CID 172871811
(2S)-2-[[(Z)-18-hydroxyoctadec-9-enoyl]amino]-4-methylpentanoic acid
CID 172875087
(2S)-4,5,5,5-tetradeuterio-2-[[(Z)-18-hydroxyoctadec-9-enoyl]amino]-4-(trideuteriomethyl)pentanoic acid
CID 172875760

Frequently Asked Questions

What is the IUPAC name of bis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide;octanoic acid;tris[bis(phosphanyl)phosphanyl]phosphane?
The IUPAC name of bis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide;octanoic acid;tris[bis(phosphanyl)phosphanyl]phosphane (CID 123334311) is bis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide;octanoic acid;tris[bis(phosphanyl)phosphanyl]phosphane.
What is the SMILES notation for bis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide;octanoic acid;tris[bis(phosphanyl)phosphanyl]phosphane?
The canonical SMILES for bis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide;octanoic acid;tris[bis(phosphanyl)phosphanyl]phosphane is CC/C=C(\C)[C@@H](NC(=O)CCCCCCO)[C@@H](C)/C=C/I.CCCCCCCC(=O)O.PP(P)P(P(P)P)P(P)P.PPP(P(P)P)P(P)P.
What is the InChIKey of bis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide;octanoic acid;tris[bis(phosphanyl)phosphanyl]phosphane?
The InChIKey is BULCAUHVAVRZGO-VTJQPGRWSA-N. The full InChI is InChI=1S/C17H30INO2.C8H16O2.H12P10.H11P9/c1-4-9-14(2)17(15(3)11-12-18)19-16(21)10-7-5-6-8-13-20;1-2-3-4-5-6-7-8(9)10;1-7(2)10(8(3)4)9(5)6;1-6-9(7(2)3)8(4)5/h9,11-12,15,17,20H,4-8,10,13H2,1-3H3,(H,19,21);2-7H2,1H3,(H,9,10);1-6H2;6H,1-5H2/b12-11+,14-9+;;;/t15-,17+;;;/m0.../s1.
What are the key properties of bis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide;octanoic acid;tris[bis(phosphanyl)phosphanyl]phosphane?
bis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide;octanoic acid;tris[bis(phosphanyl)phosphanyl]phosphane has a molecular weight of 1163.24 g/mol, XLogP of 16.99, 23 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide;octanoic acid;tris[bis(phosphanyl)phosphanyl]phosphane is sourced from PubChem (CID 123334311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).