(1S,5S,6R,8R,10S,11S,13R,16S)-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-8-hydroxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione

C20H58O8P30 — CID 59046617

IUPAC(1S,5S,6R,8R,10S,11S,13R,16S)-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-8-hydroxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione
SMILESCC1=C2[C@H](OP(P(P)P)P(PP)P(P)P)C[C@]3(C)[C@@H](OP(P(P)P)P(P)P)C[C@@H](O)C(=O)[C@H]3[C@@H]3OC(=O)O[C@@]3(C[C@@H]1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C
InChIInChI=1S/C20H58O8P30/c1-8-10(26-48(56(44)52(36)37)58(54(40)41)55(42)43)7-20-16(24-17(23)25-20)14-15(22)9(21)5-12(28-46(49(30)31)50(32)33)19(14,4)6-11(13(8)18(20,2)3)27-47(51(34)35)57(45-29)53(38)39/h9-12,14,16,21,45H,5-7,29-44H2,1-4H3/t9-,10+,11-,12+,14+,16+,19-,20-,47?,48?,56?,57?/m1/s1
InChIKeyIQASVOPJPHYUEX-RVFUSUEZSA-N
MW1355.90 g/mol
LogP18.92
Rot. Bonds17

About (1S,5S,6R,8R,10S,11S,13R,16S)-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-8-hydroxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione

(1S,5S,6R,8R,10S,11S,13R,16S)-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-8-hydroxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione (PubChem CID 59046617) has the molecular formula C20H58O8P30 and a molecular weight of 1355.90 g/mol. Its IUPAC name is (1S,5S,6R,8R,10S,11S,13R,16S)-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-8-hydroxy-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(1S,5S,6R,8R,10S,11S,13R,16S)-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-8-hydroxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione
PubChem CID59046617
Molecular FormulaC20H58O8P30
Molecular Weight1355.90 g/mol
Exact Mass1355.63
IUPAC Name(1S,5S,6R,8R,10S,11S,13R,16S)-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-8-hydroxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione
SMILESCC1=C2[C@H](OP(P(P)P)P(PP)P(P)P)C[C@]3(C)[C@@H](OP(P(P)P)P(P)P)C[C@@H](O)C(=O)[C@H]3[C@@H]3OC(=O)O[C@@]3(C[C@@H]1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C
InChIInChI=1S/C20H58O8P30/c1-8-10(26-48(56(44)52(36)37)58(54(40)41)55(42)43)7-20-16(24-17(23)25-20)14-15(22)9(21)5-12(28-46(49(30)31)50(32)33)19(14,4)6-11(13(8)18(20,2)3)27-47(51(34)35)57(45-29)53(38)39/h9-12,14,16,21,45H,5-7,29-44H2,1-4H3/t9-,10+,11-,12+,14+,16+,19-,20-,47?,48?,56?,57?/m1/s1
InChIKeyIQASVOPJPHYUEX-RVFUSUEZSA-N
XLogP18.92
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001355.90
LogP ≤ 518.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (1S,5S,6R,8R,10S,11S,13R,16S)-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-8-hydroxy-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 (1S,5S,6R,8R,10S,11S,13R,16S)-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-8-hydroxy-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 (1S,5S,6R,8R,10S,11S,13R,16S)-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-8-hydroxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione (CID 59046617) is (1S,5S,6R,8R,10S,11S,13R,16S)-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-8-hydroxy-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 (1S,5S,6R,8R,10S,11S,13R,16S)-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-8-hydroxy-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 (1S,5S,6R,8R,10S,11S,13R,16S)-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-8-hydroxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione is CC1=C2[C@H](OP(P(P)P)P(PP)P(P)P)C[C@]3(C)[C@@H](OP(P(P)P)P(P)P)C[C@@H](O)C(=O)[C@H]3[C@@H]3OC(=O)O[C@@]3(C[C@@H]1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C.
What is the InChIKey of (1S,5S,6R,8R,10S,11S,13R,16S)-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-8-hydroxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione?
The InChIKey is IQASVOPJPHYUEX-RVFUSUEZSA-N. The full InChI is InChI=1S/C20H58O8P30/c1-8-10(26-48(56(44)52(36)37)58(54(40)41)55(42)43)7-20-16(24-17(23)25-20)14-15(22)9(21)5-12(28-46(49(30)31)50(32)33)19(14,4)6-11(13(8)18(20,2)3)27-47(51(34)35)57(45-29)53(38)39/h9-12,14,16,21,45H,5-7,29-44H2,1-4H3/t9-,10+,11-,12+,14+,16+,19-,20-,47?,48?,56?,57?/m1/s1.
What are the key properties of (1S,5S,6R,8R,10S,11S,13R,16S)-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-8-hydroxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione?
(1S,5S,6R,8R,10S,11S,13R,16S)-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-8-hydroxy-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 1355.90 g/mol, XLogP of 18.92, 17 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6R,8R,10S,11S,13R,16S)-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-8-hydroxy-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 59046617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).