(11S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione

C20H58O7P30 — CID 59965735

IUPAC(11S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione
SMILESCC1=C2C(OP(P(P)P)P(PP)P(P)P)C[C@]3(C)C(OP(P(P)P)P(P)P)CCC(=O)C3C3OC(=O)OC3(CC1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C
InChIInChI=1S/C20H58O7P30/c1-9-11(25-47(55(43)51(35)36)57(53(39)40)54(41)42)8-20-16(23-17(22)24-20)15-10(21)5-6-13(27-45(48(29)30)49(31)32)19(15,4)7-12(14(9)18(20,2)3)26-46(50(33)34)56(44-28)52(37)38/h11-13,15-16,44H,5-8,28-43H2,1-4H3/t11?,12?,13?,15?,16?,19-,20?,46?,47?,55?,56?/m1/s1
InChIKeyRBZJOIZSOSOAOL-HGWZADJHSA-N
MW1339.90 g/mol
LogP19.95
Rot. Bonds17

About (11S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione

(11S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione (PubChem CID 59965735) has the molecular formula C20H58O7P30 and a molecular weight of 1339.90 g/mol. Its IUPAC name is (11S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione.

Molecular Properties

Compound Name(11S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione
PubChem CID59965735
Molecular FormulaC20H58O7P30
Molecular Weight1339.90 g/mol
Exact Mass1339.63
IUPAC Name(11S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione
SMILESCC1=C2C(OP(P(P)P)P(PP)P(P)P)C[C@]3(C)C(OP(P(P)P)P(P)P)CCC(=O)C3C3OC(=O)OC3(CC1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C
InChIInChI=1S/C20H58O7P30/c1-9-11(25-47(55(43)51(35)36)57(53(39)40)54(41)42)8-20-16(23-17(22)24-20)15-10(21)5-6-13(27-45(48(29)30)49(31)32)19(15,4)7-12(14(9)18(20,2)3)26-46(50(33)34)56(44-28)52(37)38/h11-13,15-16,44H,5-8,28-43H2,1-4H3/t11?,12?,13?,15?,16?,19-,20?,46?,47?,55?,56?/m1/s1
InChIKeyRBZJOIZSOSOAOL-HGWZADJHSA-N
XLogP19.95
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001339.90
LogP ≤ 519.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (11S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (11S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione?
The IUPAC name of (11S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione (CID 59965735) is (11S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione.
What is the SMILES notation for (11S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione?
The canonical SMILES for (11S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione is CC1=C2C(OP(P(P)P)P(PP)P(P)P)C[C@]3(C)C(OP(P(P)P)P(P)P)CCC(=O)C3C3OC(=O)OC3(CC1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C.
What is the InChIKey of (11S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione?
The InChIKey is RBZJOIZSOSOAOL-HGWZADJHSA-N. The full InChI is InChI=1S/C20H58O7P30/c1-9-11(25-47(55(43)51(35)36)57(53(39)40)54(41)42)8-20-16(23-17(22)24-20)15-10(21)5-6-13(27-45(48(29)30)49(31)32)19(15,4)7-12(14(9)18(20,2)3)26-46(50(33)34)56(44-28)52(37)38/h11-13,15-16,44H,5-8,28-43H2,1-4H3/t11?,12?,13?,15?,16?,19-,20?,46?,47?,55?,56?/m1/s1.
What are the key properties of (11S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione?
(11S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione has a molecular weight of 1339.90 g/mol, XLogP of 19.95, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-13-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione is sourced from PubChem (CID 59965735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).