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

C37H89N2O7P25 — CID 123254151

About 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

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 (PubChem CID 123254151) has the molecular formula C37H89N2O7P25 and a molecular weight of 1448.48 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 123254151
• Molecular Formula: C37H89N2O7P25
• Molecular Weight: 1448.48 g/mol
• Exact Mass: 1448.01
• IUPAC Name: 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
• SMILES: CC(=O)OC1/C=C/[C@H](C)[C@@H](/C(C)=C/CO)NC(=O)CCCCC1.CC/C=C(\C)[C@H]1NC(=O)CCCCCC(OC(C)=O)/C=C/[C@@H]1C.PP(P)P(P)P(P(P)P)P(P)P.PPP(P(P)P)P(P(P)P)P(P)P
• InChI: InChI=1S/C19H31NO3.C18H29NO4.H15P13.H14P12/c1-5-9-14(2)19-15(3)12-13-17(23-16(4)21)10-7-6-8-11-18(22)20-19;1-13-9-10-16(23-15(3)21)7-5-4-6-8-17(22)19-18(13)14(2)11-12-20;1-8-12(9(2)3)13(10(4)5)11(6)7;1-8(2)11(7)12(9(3)4)10(5)6/h9,12-13,15,17,19H,5-8,10-11H2,1-4H3,(H,20,22);9-11,13,16,18,20H,4-8,12H2,1-3H3,(H,19,22);8H,1-7H2;1-7H2/b13-12+,14-9+;10-9+,14-11+;;/t15-,17?,19+;13-,16?,18-;;/m00../s1
• InChIKey: CIUBMDQWRPBOKZ-RFWRDZNRSA-N
• XLogP: 20.18
• TPSA: 131.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1448.48
LogP ≤ 5	20.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(=O)OC1/C=C/[C@H](C)[C@@H](/C(C)=C/CO)NC(=O)CCCCC1.CC/C=C(\C)[C@H]1NC(=O)CCCCCC(OC(C)=O)/C=C/[C@@H]1C.PP(P)P(P)P(P(P)P)P(P)P.PPP(P(P)P)P(P(P)P)P(P)P.

What is the InChIKey of 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?

The InChIKey is CIUBMDQWRPBOKZ-RFWRDZNRSA-N. The full InChI is InChI=1S/C19H31NO3.C18H29NO4.H15P13.H14P12/c1-5-9-14(2)19-15(3)12-13-17(23-16(4)21)10-7-6-8-11-18(22)20-19;1-13-9-10-16(23-15(3)21)7-5-4-6-8-17(22)19-18(13)14(2)11-12-20;1-8-12(9(2)3)13(10(4)5)11(6)7;1-8(2)11(7)12(9(3)4)10(5)6/h9,12-13,15,17,19H,5-8,10-11H2,1-4H3,(H,20,22);9-11,13,16,18,20H,4-8,12H2,1-3H3,(H,19,22);8H,1-7H2;1-7H2/b13-12+,14-9+;10-9+,14-11+;;/t15-,17?,19+;13-,16?,18-;;/m00../s1.

What are the key properties of 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?

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 has a molecular weight of 1448.48 g/mol, XLogP of 20.18, 15 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 123254151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).