(11S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphorosophosphanyl]phosphanyl]-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

C20H56O7P30 — CID 59965767

IUPAC(11S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphorosophosphanyl]phosphanyl]-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(CC1[P@](P(P=O)P(P)P)P(P(P)P)P(P)P)C2(C)C
InChIInChI=1S/C20H56O7P30/c1-9-12(45(55(43-23)51(35)36)57(53(39)40)54(41)42)8-20-16(24-17(22)25-20)15-10(21)5-6-13(27-46(48(29)30)49(31)32)19(15,4)7-11(14(9)18(20,2)3)26-47(50(33)34)56(44-28)52(37)38/h11-13,15-16,44H,5-8,28-42H2,1-4H3/t11?,12?,13?,15?,16?,19-,20?,45-,47?,55?,56?/m1/s1
InChIKeyMRYGSRZSLSSVOR-IQWWNFAQSA-N
MW1337.88 g/mol
LogP20.43
Rot. Bonds17

About (11S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphorosophosphanyl]phosphanyl]-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-phosphorosophosphanyl]phosphanyl]-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 59965767) has the molecular formula C20H56O7P30 and a molecular weight of 1337.88 g/mol. Its IUPAC name is (11S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphorosophosphanyl]phosphanyl]-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-phosphorosophosphanyl]phosphanyl]-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 CID59965767
Molecular FormulaC20H56O7P30
Molecular Weight1337.88 g/mol
Exact Mass1337.62
IUPAC Name(11S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphorosophosphanyl]phosphanyl]-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(CC1[P@](P(P=O)P(P)P)P(P(P)P)P(P)P)C2(C)C
InChIInChI=1S/C20H56O7P30/c1-9-12(45(55(43-23)51(35)36)57(53(39)40)54(41)42)8-20-16(24-17(22)25-20)15-10(21)5-6-13(27-46(48(29)30)49(31)32)19(15,4)7-11(14(9)18(20,2)3)26-47(50(33)34)56(44-28)52(37)38/h11-13,15-16,44H,5-8,28-42H2,1-4H3/t11?,12?,13?,15?,16?,19-,20?,45-,47?,55?,56?/m1/s1
InChIKeyMRYGSRZSLSSVOR-IQWWNFAQSA-N
XLogP20.43
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001337.88
LogP ≤ 520.43
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-phosphorosophosphanyl]phosphanyl]-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-phosphorosophosphanyl]phosphanyl]-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-phosphorosophosphanyl]phosphanyl]-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 59965767) is (11S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphorosophosphanyl]phosphanyl]-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-phosphorosophosphanyl]phosphanyl]-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-phosphorosophosphanyl]phosphanyl]-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(CC1[P@](P(P=O)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-phosphorosophosphanyl]phosphanyl]-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 MRYGSRZSLSSVOR-IQWWNFAQSA-N. The full InChI is InChI=1S/C20H56O7P30/c1-9-12(45(55(43-23)51(35)36)57(53(39)40)54(41)42)8-20-16(24-17(22)25-20)15-10(21)5-6-13(27-46(48(29)30)49(31)32)19(15,4)7-11(14(9)18(20,2)3)26-47(50(33)34)56(44-28)52(37)38/h11-13,15-16,44H,5-8,28-42H2,1-4H3/t11?,12?,13?,15?,16?,19-,20?,45-,47?,55?,56?/m1/s1.
What are the key properties of (11S)-16-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphorosophosphanyl]phosphanyl]-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-phosphorosophosphanyl]phosphanyl]-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 1337.88 g/mol, XLogP of 20.43, 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-phosphorosophosphanyl]phosphanyl]-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 59965767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).