(1S,5S,6R,8S,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-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione

C20H63O8P35 — CID 59904736

IUPAC(1S,5S,6R,8S,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-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]oxy-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](OP(P)P(P)P)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/C20H63O8P35/c1-8-10(26-52(61(47)57(39)40)63(59(43)44)60(45)46)7-20-16(23-17(22)24-20)14-15(21)9(25-49(30)53(31)32)5-12(28-50(54(33)34)55(35)36)19(14,4)6-11(13(8)18(20,2)3)27-51(56(37)38)62(48-29)58(41)42/h9-12,14,16,48H,5-7,29-47H2,1-4H3/t9-,10-,11+,12-,14-,16-,19+,20+,49?,51?,52?,61?,62?/m0/s1
InChIKeyTXSVRNFIYUWFMO-WAFLMBFSSA-N
MW1515.81 g/mol
LogP22.11
Rot. Bonds20

About (1S,5S,6R,8S,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-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione

(1S,5S,6R,8S,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-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione (PubChem CID 59904736) has the molecular formula C20H63O8P35 and a molecular weight of 1515.81 g/mol. Its IUPAC name is (1S,5S,6R,8S,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-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]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(1S,5S,6R,8S,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-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione
PubChem CID59904736
Molecular FormulaC20H63O8P35
Molecular Weight1515.81 g/mol
Exact Mass1515.53
IUPAC Name(1S,5S,6R,8S,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-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]oxy-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](OP(P)P(P)P)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/C20H63O8P35/c1-8-10(26-52(61(47)57(39)40)63(59(43)44)60(45)46)7-20-16(23-17(22)24-20)14-15(21)9(25-49(30)53(31)32)5-12(28-50(54(33)34)55(35)36)19(14,4)6-11(13(8)18(20,2)3)27-51(56(37)38)62(48-29)58(41)42/h9-12,14,16,48H,5-7,29-47H2,1-4H3/t9-,10-,11+,12-,14-,16-,19+,20+,49?,51?,52?,61?,62?/m0/s1
InChIKeyTXSVRNFIYUWFMO-WAFLMBFSSA-N
XLogP22.11
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001515.81
LogP ≤ 522.11
H-Bond Donors ≤ 50
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,8S,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-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]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 (1S,5S,6R,8S,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-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]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 (1S,5S,6R,8S,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-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione (CID 59904736) is (1S,5S,6R,8S,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-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]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 (1S,5S,6R,8S,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-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]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 (1S,5S,6R,8S,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-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]oxy-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](OP(P)P(P)P)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,8S,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-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]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 TXSVRNFIYUWFMO-WAFLMBFSSA-N. The full InChI is InChI=1S/C20H63O8P35/c1-8-10(26-52(61(47)57(39)40)63(59(43)44)60(45)46)7-20-16(23-17(22)24-20)14-15(21)9(25-49(30)53(31)32)5-12(28-50(54(33)34)55(35)36)19(14,4)6-11(13(8)18(20,2)3)27-51(56(37)38)62(48-29)58(41)42/h9-12,14,16,48H,5-7,29-47H2,1-4H3/t9-,10-,11+,12-,14-,16-,19+,20+,49?,51?,52?,61?,62?/m0/s1.
What are the key properties of (1S,5S,6R,8S,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-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]oxy-11,15,18,18-tetramethyl-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadec-14-ene-3,7-dione?
(1S,5S,6R,8S,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-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]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 1515.81 g/mol, XLogP of 22.11, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,6R,8S,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-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]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 59904736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).