bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;[(2S,3S,4E)-2-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3S)-3-hydroxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(2R,3S)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-ol;[(2S,3S,4E)-3-methyl-12-oxo-2-[(2E)-penta-2,4-dien-2-yl]-1-azacyclododec-4-en-6-yl] acetate

C60H132N2O10P30 — CID 162131912

IUPACbis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;[(2S,3S,4E)-2-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3S)-3-hydroxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(2R,3S)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-ol;[(2S,3S,4E)-3-methyl-12-oxo-2-[(2E)-penta-2,4-dien-2-yl]-1-azacyclododec-4-en-6-yl] acetate
SMILESC=C/C=C(\C)[C@H]1NC(=O)CCCCCC(OC(C)=O)/C=C/[C@@H]1C.C=C[C@@H](C)C[C@H]1O[C@@H]1[C@H](C)[C@@H](O)CC.CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)/C=C/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(P)P.PP(P)P(P)P(P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C29H47NO5.C19H29NO3.C12H22O2.H18P16.H16P14/c1-7-25(32)22(5)29-26(35-29)18-19(2)12-11-13-20(3)28-21(4)16-17-24(34-23(6)31)14-9-8-10-15-27(33)30-28;1-5-9-14(2)19-15(3)12-13-17(23-16(4)21)10-7-6-8-11-18(22)20-19;1-5-8(3)7-11-12(14-11)9(4)10(13)6-2;1-10(2)14(9)16(13(7)8)15(11(3)4)12(5)6;1-9(2)13(10(3)4)14(11(5)6)12(7)8/h11-13,16-17,19,21-22,24-26,28-29,32H,7-10,14-15,18H2,1-6H3,(H,30,33);5,9,12-13,15,17,19H,1,6-8,10-11H2,2-4H3,(H,20,22);5,8-13H,1,6-7H2,2-4H3;1-9H2;1-8H2/b12-11+,17-16+,20-13+;13-12+,14-9+;;;/t19-,21+,22-,24?,25+,26-,28-,29-;15-,17?,19+;8-,9-,10+,11-,12-;;/m101../s1
InChIKeyZITSPFPZFLYSIM-GDCRGVIDSA-N
MW1970.94 g/mol
LogP28.06
Rot. Bonds29

About bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;[(2S,3S,4E)-2-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3S)-3-hydroxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(2R,3S)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-ol;[(2S,3S,4E)-3-methyl-12-oxo-2-[(2E)-penta-2,4-dien-2-yl]-1-azacyclododec-4-en-6-yl] acetate

bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;[(2S,3S,4E)-2-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3S)-3-hydroxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(2R,3S)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-ol;[(2S,3S,4E)-3-methyl-12-oxo-2-[(2E)-penta-2,4-dien-2-yl]-1-azacyclododec-4-en-6-yl] acetate (PubChem CID 162131912) has the molecular formula C60H132N2O10P30 and a molecular weight of 1970.94 g/mol. Its IUPAC name is bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;[(2S,3S,4E)-2-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3S)-3-hydroxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(2R,3S)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-ol;[(2S,3S,4E)-3-methyl-12-oxo-2-[(2E)-penta-2,4-dien-2-yl]-1-azacyclododec-4-en-6-yl] acetate.

Molecular Properties

Compound Namebis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;[(2S,3S,4E)-2-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3S)-3-hydroxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(2R,3S)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-ol;[(2S,3S,4E)-3-methyl-12-oxo-2-[(2E)-penta-2,4-dien-2-yl]-1-azacyclododec-4-en-6-yl] acetate
PubChem CID162131912
Molecular FormulaC60H132N2O10P30
Molecular Weight1970.94 g/mol
Exact Mass1970.20
IUPAC Namebis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;[(2S,3S,4E)-2-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3S)-3-hydroxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(2R,3S)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-ol;[(2S,3S,4E)-3-methyl-12-oxo-2-[(2E)-penta-2,4-dien-2-yl]-1-azacyclododec-4-en-6-yl] acetate
SMILESC=C/C=C(\C)[C@H]1NC(=O)CCCCCC(OC(C)=O)/C=C/[C@@H]1C.C=C[C@@H](C)C[C@H]1O[C@@H]1[C@H](C)[C@@H](O)CC.CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)/C=C/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(P)P.PP(P)P(P)P(P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C29H47NO5.C19H29NO3.C12H22O2.H18P16.H16P14/c1-7-25(32)22(5)29-26(35-29)18-19(2)12-11-13-20(3)28-21(4)16-17-24(34-23(6)31)14-9-8-10-15-27(33)30-28;1-5-9-14(2)19-15(3)12-13-17(23-16(4)21)10-7-6-8-11-18(22)20-19;1-5-8(3)7-11-12(14-11)9(4)10(13)6-2;1-10(2)14(9)16(13(7)8)15(11(3)4)12(5)6;1-9(2)13(10(3)4)14(11(5)6)12(7)8/h11-13,16-17,19,21-22,24-26,28-29,32H,7-10,14-15,18H2,1-6H3,(H,30,33);5,9,12-13,15,17,19H,1,6-8,10-11H2,2-4H3,(H,20,22);5,8-13H,1,6-7H2,2-4H3;1-9H2;1-8H2/b12-11+,17-16+,20-13+;13-12+,14-9+;;;/t19-,21+,22-,24?,25+,26-,28-,29-;15-,17?,19+;8-,9-,10+,11-,12-;;/m101../s1
InChIKeyZITSPFPZFLYSIM-GDCRGVIDSA-N
XLogP28.06
TPSA176.32 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds29
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001970.94
LogP ≤ 528.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;[(2S,3S,4E)-2-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3S)-3-hydroxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(2R,3S)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-ol;[(2S,3S,4E)-3-methyl-12-oxo-2-[(2E)-penta-2,4-dien-2-yl]-1-azacyclododec-4-en-6-yl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;[(2S,3S,4E)-2-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3S)-3-hydroxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(2R,3S)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-ol;[(2S,3S,4E)-3-methyl-12-oxo-2-[(2E)-penta-2,4-dien-2-yl]-1-azacyclododec-4-en-6-yl] acetate?
The IUPAC name of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;[(2S,3S,4E)-2-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3S)-3-hydroxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(2R,3S)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-ol;[(2S,3S,4E)-3-methyl-12-oxo-2-[(2E)-penta-2,4-dien-2-yl]-1-azacyclododec-4-en-6-yl] acetate (CID 162131912) is bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;[(2S,3S,4E)-2-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3S)-3-hydroxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(2R,3S)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-ol;[(2S,3S,4E)-3-methyl-12-oxo-2-[(2E)-penta-2,4-dien-2-yl]-1-azacyclododec-4-en-6-yl] acetate.
What is the SMILES notation for bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;[(2S,3S,4E)-2-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3S)-3-hydroxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(2R,3S)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-ol;[(2S,3S,4E)-3-methyl-12-oxo-2-[(2E)-penta-2,4-dien-2-yl]-1-azacyclododec-4-en-6-yl] acetate?
The canonical SMILES for bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;[(2S,3S,4E)-2-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3S)-3-hydroxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(2R,3S)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-ol;[(2S,3S,4E)-3-methyl-12-oxo-2-[(2E)-penta-2,4-dien-2-yl]-1-azacyclododec-4-en-6-yl] acetate is C=C/C=C(\C)[C@H]1NC(=O)CCCCCC(OC(C)=O)/C=C/[C@@H]1C.C=C[C@@H](C)C[C@H]1O[C@@H]1[C@H](C)[C@@H](O)CC.CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)/C=C/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(P)P.PP(P)P(P)P(P(P)P)P(P(P)P)P(P)P.
What is the InChIKey of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;[(2S,3S,4E)-2-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3S)-3-hydroxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(2R,3S)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-ol;[(2S,3S,4E)-3-methyl-12-oxo-2-[(2E)-penta-2,4-dien-2-yl]-1-azacyclododec-4-en-6-yl] acetate?
The InChIKey is ZITSPFPZFLYSIM-GDCRGVIDSA-N. The full InChI is InChI=1S/C29H47NO5.C19H29NO3.C12H22O2.H18P16.H16P14/c1-7-25(32)22(5)29-26(35-29)18-19(2)12-11-13-20(3)28-21(4)16-17-24(34-23(6)31)14-9-8-10-15-27(33)30-28;1-5-9-14(2)19-15(3)12-13-17(23-16(4)21)10-7-6-8-11-18(22)20-19;1-5-8(3)7-11-12(14-11)9(4)10(13)6-2;1-10(2)14(9)16(13(7)8)15(11(3)4)12(5)6;1-9(2)13(10(3)4)14(11(5)6)12(7)8/h11-13,16-17,19,21-22,24-26,28-29,32H,7-10,14-15,18H2,1-6H3,(H,30,33);5,9,12-13,15,17,19H,1,6-8,10-11H2,2-4H3,(H,20,22);5,8-13H,1,6-7H2,2-4H3;1-9H2;1-8H2/b12-11+,17-16+,20-13+;13-12+,14-9+;;;/t19-,21+,22-,24?,25+,26-,28-,29-;15-,17?,19+;8-,9-,10+,11-,12-;;/m101../s1.
What are the key properties of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;[(2S,3S,4E)-2-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3S)-3-hydroxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(2R,3S)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-ol;[(2S,3S,4E)-3-methyl-12-oxo-2-[(2E)-penta-2,4-dien-2-yl]-1-azacyclododec-4-en-6-yl] acetate?
bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;[(2S,3S,4E)-2-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3S)-3-hydroxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(2R,3S)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-ol;[(2S,3S,4E)-3-methyl-12-oxo-2-[(2E)-penta-2,4-dien-2-yl]-1-azacyclododec-4-en-6-yl] acetate has a molecular weight of 1970.94 g/mol, XLogP of 28.06, 29 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]phosphanyl-bis[bis(phosphanyl)phosphanyl]phosphane;[(2S,3S,4E)-2-[(2E,4E,6S)-7-[(2R,3R)-3-[(2R,3S)-3-hydroxypentan-2-yl]oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3-methyl-12-oxo-1-azacyclododec-4-en-6-yl] acetate;(2R,3S)-2-[(2R,3R)-3-[(2S)-2-methylbut-3-enyl]oxiran-2-yl]pentan-3-ol;[(2S,3S,4E)-3-methyl-12-oxo-2-[(2E)-penta-2,4-dien-2-yl]-1-azacyclododec-4-en-6-yl] acetate is sourced from PubChem (CID 162131912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).